K783-3631 Screening compound: ethyl 4-({N-[(4-fluorophenyl)methyl]3-[(5-chloro-2-methoxyphenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)benzoate

K783-3631 Screening compound: ethyl 4-({N-[(4-fluorophenyl)methyl]3-[(5-chloro-2-methoxyphenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)benzoate
K783-3631 Screening compound: ethyl 4-({N-[(4-fluorophenyl)methyl]3-[(5-chloro-2-methoxyphenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-3631
ethyl 4-({N-[(4-fluorophenyl)methyl]3-[(5-chloro-2-methoxyphenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)benzoate

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

K783-3631

Molecular Formula

C31H27ClF2N2O6S (C31 H27 ClF2 N2 O6 S)

Compound Name

ethyl 4-({N-[(4-fluorophenyl)methyl]3-[(5-chloro-2-methoxyphenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)benzoate

IUPAC name

ethyl 4-({N-[(4-fluorophenyl)methyl]3-[(5-chloro-2-methoxyphenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)benzoate

SMILES

CCOC(c1ccc(CN(Cc(cc2)ccc2F)S(c(cc2)cc(C(Nc(cc(cc3)Cl)c3OC)=O)c2F)(=O)=O)cc1)=O

InChI

InChI=1S/C31H27ClF2N2O6S/c1-3-42-31(38)22-8-4-20(5-9-22)18-36(19-21-6-11-24(33)12-7-21)43(39,40)25-13-14-27(34)26(17-25)30(37)35-28-16-23(32)10-15-29(28)41-2/h4-17H,3,18-19H2,1-2H3,(H,35,37)

InChI Key

BKCSCKFEFVMDBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15095993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

629.08

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.852

Distribution Coefficient, logD

5.707

Water Solubility, LogSw

-6.32

Polar Surface Area

82.120

Acid Dissociation Constant (pKa)

6.29

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.10

K783-3631 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Human Proteases Annotated Library (2868 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K783-3631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-3631?
Check Price and Availability of K783-3631, 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 K783-3631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-3631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-3631
  • 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 K783-3631 available by request