C761-0768 Screening compound: N~1~-(3,4-dimethylphenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2,6-difluorobenzamide

C761-0768 Screening compound: N~1~-(3,4-dimethylphenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-2,6-difluorobenzamide
C761-0768 Screening compound: N~1~-(3,4-dimethylphenyl)-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 C761-0768
N~1~-(3,4-dimethylphenyl)-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

C761-0768

Molecular Formula

C19H17F2NO3S (C19 H17 F2 NO3 S)

Compound Name

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

IUPAC name

N-(34-dimethylphenyl)-N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-26-difluorobenzamide

SMILES

Cc(cc1)c(C)cc1N(C(C1)C=CS1(=O)=O)C(c(c(F)ccc1)c1F)=O

InChI

InChI=1S/C19H17F2NO3S/c1-12-6-7-14(10-13(12)2)22(15-8-9-26(24,25)11-15)19(23)18-16(20)4-3-5-17(18)21/h3-10,15H,11H2,1-2H3/t15-/m0/s1

InChI Key

YCBLCIVXUAHHRP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD05898672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.41

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

3.441

Distribution Coefficient, logD

3.441

Water Solubility, LogSw

-3.88

Polar Surface Area

43.379

Acid Dissociation Constant (pKa)

21.31

Base Dissociation Constant (pKb)

-6.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

C761-0768 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 C761-0768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C761-0768?
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What is the minimum amount of C761-0768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C761-0768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C761-0768
  • 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 C761-0768 available by request