C761-1002 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-methoxyphenyl)-3,4-dimethylbenzamide

C761-1002 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-methoxyphenyl)-3,4-dimethylbenzamide
C761-1002 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-methoxyphenyl)-3,4-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C761-1002
N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-methoxyphenyl)-3,4-dimethylbenzamide

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

C761-1002

Molecular Formula

C20H21NO4S (C20 H21 NO4 S)

Compound Name

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

IUPAC name

N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-N-(4-methoxyphenyl)-34-dimethylbenzamide

SMILES

Cc(cc1)c(C)cc1C(N(C(C1)C=CS1(=O)=O)c(cc1)ccc1OC)=O

InChI

InChI=1S/C20H21NO4S/c1-14-4-5-16(12-15(14)2)20(22)21(18-10-11-26(23,24)13-18)17-6-8-19(25-3)9-7-17/h4-12,18H,13H2,1-3H3/t18-/m0/s1

InChI Key

BWTYUOZSANKCFY-SFHVURJKSA-N

MDL Number (MFCD)

MFCD05898723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.072

Distribution Coefficient, logD

3.072

Water Solubility, LogSw

-3.30

Polar Surface Area

50.923

Acid Dissociation Constant (pKa)

21.31

Base Dissociation Constant (pKb)

-5.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

C761-1002 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C761-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C761-1002?
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What is the minimum amount of C761-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C761-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C761-1002
  • 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 C761-1002 available by request