C761-1460 Screening compound: N~1~-(4-bromophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2,6-difluorobenzamide

C761-1460 Screening compound: N~1~-(4-bromophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2,6-difluorobenzamide
C761-1460 Screening compound: N~1~-(4-bromophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2,6-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C761-1460
N~1~-(4-bromophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2,6-difluorobenzamide

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

C761-1460

Molecular Formula

C17H12BrF2NO3S (C17 H12 BrF2 NO3 S)

Compound Name

N~1~-(4-bromophenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2,6-difluorobenzamide

IUPAC name

N-(4-bromophenyl)-N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-26-difluorobenzamide

SMILES

O=C(c(c(F)ccc1)c1F)N(C(C1)C=CS1(=O)=O)c(cc1)ccc1Br

InChI

InChI=1S/C17H12BrF2NO3S/c18-11-4-6-12(7-5-11)21(13-8-9-25(23,24)10-13)17(22)16-14(19)2-1-3-15(16)20/h1-9,13H,10H2/t13-/m1/s1

InChI Key

OPGYWPMYJMYEBS-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD05715350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.127

Distribution Coefficient, logD

3.127

Water Solubility, LogSw

-3.32

Polar Surface Area

43.379

Acid Dissociation Constant (pKa)

21.31

Base Dissociation Constant (pKb)

-7.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

C761-1460 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C761-1460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C761-1460?
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What is the minimum amount of C761-1460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C761-1460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C761-1460
  • 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 C761-1460 available by request