K978-0785 Screening compound: 1,3-dimethyl 5-[3-(4-bromobenzenesulfonyl)propanamido]benzene-1,3-dicarboxylate

K978-0785 Screening compound: 1,3-dimethyl 5-[3-(4-bromobenzenesulfonyl)propanamido]benzene-1,3-dicarboxylate
K978-0785 Screening compound: 1,3-dimethyl 5-[3-(4-bromobenzenesulfonyl)propanamido]benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-0785
1,3-dimethyl 5-[3-(4-bromobenzenesulfonyl)propanamido]benzene-1,3-dicarboxylate

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

K978-0785

Molecular Formula

C19H18BrNO7S (C19 H18 BrNO7 S)

Compound Name

1,3-dimethyl 5-[3-(4-bromobenzenesulfonyl)propanamido]benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-[3-(4-bromobenzenesulfonyl)propanamido]benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(CCS(c(cc2)ccc2Br)(=O)=O)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C19H18BrNO7S/c1-27-18(23)12-9-13(19(24)28-2)11-15(10-12)21-17(22)7-8-29(25,26)16-5-3-14(20)4-6-16/h3-6,9-11H,7-8H2,1-2H3,(H,21,22)

InChI Key

GYAPEXXFQLEWQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.32

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.583

Distribution Coefficient, logD

3.583

Water Solubility, LogSw

-3.86

Polar Surface Area

94.500

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

-5.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

K978-0785 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with K978-0785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0785?
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What is the minimum amount of K978-0785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0785
  • 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 K978-0785 available by request