K781-1525 Screening compound: 3-(trifluoromethyl)phenyl 4-{[(2-chlorophenyl)methyl]amino}-3-[(3-methoxyphenyl)sulfamoyl]benzoate

K781-1525 Screening compound: 3-(trifluoromethyl)phenyl 4-{[(2-chlorophenyl)methyl]amino}-3-[(3-methoxyphenyl)sulfamoyl]benzoate
K781-1525 Screening compound: 3-(trifluoromethyl)phenyl 4-{[(2-chlorophenyl)methyl]amino}-3-[(3-methoxyphenyl)sulfamoyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1525
3-(trifluoromethyl)phenyl 4-{[(2-chlorophenyl)methyl]amino}-3-[(3-methoxyphenyl)sulfamoyl]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

K781-1525

Molecular Formula

C28H22ClF3N2O5S (C28 H22 ClF3 N2 O5 S)

Compound Name

3-(trifluoromethyl)phenyl 4-{[(2-chlorophenyl)methyl]amino}-3-[(3-methoxyphenyl)sulfamoyl]benzoate

IUPAC name

3-(trifluoromethyl)phenyl 4-{[(2-chlorophenyl)methyl]amino}-3-[(3-methoxyphenyl)sulfamoyl]benzoate

SMILES

COc1cccc(NS(c(cc(cc2)C(Oc3cc(C(F)(F)F)ccc3)=O)c2NCc(cccc2)c2Cl)(=O)=O)c1

InChI

InChI=1S/C28H22ClF3N2O5S/c1-38-22-9-5-8-21(16-22)34-40(36,37)26-14-18(12-13-25(26)33-17-19-6-2-3-11-24(19)29)27(35)39-23-10-4-7-20(15-23)28(30,31)32/h2-16,33-34H,17H2,1H3

InChI Key

MUCIAGDJYFEWHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

591.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.587

Distribution Coefficient, logD

6.146

Water Solubility, LogSw

-6.28

Polar Surface Area

78.346

Acid Dissociation Constant (pKa)

7.15

Base Dissociation Constant (pKb)

-4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

K781-1525 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K781-1525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1525?
Check Price and Availability of K781-1525, 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 K781-1525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1525
  • 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 K781-1525 available by request