C761-1093 Screening compound: 3-bromo-N~1~-(2,4-dimethoxyphenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)benzamide

C761-1093 Screening compound: 3-bromo-N~1~-(2,4-dimethoxyphenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)benzamide
C761-1093 Screening compound: 3-bromo-N~1~-(2,4-dimethoxyphenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C761-1093
3-bromo-N~1~-(2,4-dimethoxyphenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)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

C761-1093

Molecular Formula

C19H18BrNO5S (C19 H18 BrNO5 S)

Compound Name

3-bromo-N~1~-(2,4-dimethoxyphenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)benzamide

IUPAC name

3-bromo-N-(24-dimethoxyphenyl)-N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)benzamide

SMILES

COc(cc1)cc(OC)c1N(C(C1)C=CS1(=O)=O)C(c1cccc(Br)c1)=O

InChI

InChI=1S/C19H18BrNO5S/c1-25-16-6-7-17(18(11-16)26-2)21(15-8-9-27(23,24)12-15)19(22)13-4-3-5-14(20)10-13/h3-11,15H,12H2,1-2H3/t15-/m1/s1

InChI Key

ABXZQXNPYFMBFW-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD05715299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.083

Distribution Coefficient, logD

3.083

Water Solubility, LogSw

-3.53

Polar Surface Area

58.253

Acid Dissociation Constant (pKa)

21.31

Base Dissociation Constant (pKb)

-5.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

C761-1093 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C761-1093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C761-1093?
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What is the minimum amount of C761-1093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C761-1093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C761-1093
  • 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 C761-1093 available by request