K781-1455 Screening compound: 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-{[3-(trifluoromethyl)phenyl]sulfamoyl}benzamide

K781-1455 Screening compound: 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-{[3-(trifluoromethyl)phenyl]sulfamoyl}benzamide
K781-1455 Screening compound: 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-{[3-(trifluoromethyl)phenyl]sulfamoyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1455
4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-{[3-(trifluoromethyl)phenyl]sulfamoyl}benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K781-1455

Molecular Formula

C31H35F3N4O6S (C31 H35 F3 N4 O6 S)

Compound Name

4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-{[3-(trifluoromethyl)phenyl]sulfamoyl}benzamide

IUPAC name

4-{[2-(34-dimethoxyphenyl)ethyl]amino}-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-{[3-(trifluoromethyl)phenyl]sulfamoyl}benzamide

SMILES

COc(ccc(CCNc(ccc(C(NCCCN(CCC1)C1=O)=O)c1)c1S(Nc1cc(C(F)(F)F)ccc1)(=O)=O)c1)c1OC

InChI

InChI=1S/C31H35F3N4O6S/c1-43-26-12-9-21(18-27(26)44-2)13-15-35-25-11-10-22(30(40)36-14-5-17-38-16-4-8-29(38)39)19-28(25)45(41,42)37-24-7-3-6-23(20-24)31(32,33)34/h3,6-7,9-12,18-20,35,37H,4-5,8,13-17H2,1-2H3,(H,36,40)

InChI Key

OOVAWZSAZGZCCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

648.7

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.123

Distribution Coefficient, logD

1.374

Water Solubility, LogSw

-3.60

Polar Surface Area

107.294

Acid Dissociation Constant (pKa)

5.66

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.50

K781-1455 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cardiovascular
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Proteases
  • Phosphatases

References: we are preparing a list of scientific research reports with K781-1455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1455?
Check Price and Availability of K781-1455, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K781-1455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1455
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K781-1455 available by request