C761-1561 Screening compound: N~1~-(3,5-dimethylphenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-4-fluorobenzamide

C761-1561 Screening compound: N~1~-(3,5-dimethylphenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-4-fluorobenzamide
C761-1561 Screening compound: N~1~-(3,5-dimethylphenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C761-1561
N~1~-(3,5-dimethylphenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-4-fluorobenzamide

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

C761-1561

Molecular Formula

C19H18FNO3S (C19 H18 FNO3 S)

Compound Name

N~1~-(3,5-dimethylphenyl)-N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-4-fluorobenzamide

IUPAC name

N-(35-dimethylphenyl)-N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-4-fluorobenzamide

SMILES

Cc1cc(N(C(C2)C=CS2(=O)=O)C(c(cc2)ccc2F)=O)cc(C)c1

InChI

InChI=1S/C19H18FNO3S/c1-13-9-14(2)11-18(10-13)21(17-7-8-25(23,24)12-17)19(22)15-3-5-16(20)6-4-15/h3-11,17H,12H2,1-2H3/t17-/m0/s1

InChI Key

QORJQKVJTVUHBA-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD05898827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.42

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

3.291

Distribution Coefficient, logD

3.291

Water Solubility, LogSw

-3.49

Polar Surface Area

43.379

Acid Dissociation Constant (pKa)

21.31

Base Dissociation Constant (pKb)

-6.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

C761-1561 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 C761-1561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C761-1561?
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What is the minimum amount of C761-1561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C761-1561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C761-1561
  • 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 C761-1561 available by request