C771-0029 Screening compound: N~2~-benzyl-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophene-2-carboxamide

C771-0029 Screening compound: N~2~-benzyl-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophene-2-carboxamide
C771-0029 Screening compound: N~2~-benzyl-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C771-0029
N~2~-benzyl-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophene-2-carboxamide

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

C771-0029

Molecular Formula

C14H13NO3S2 (C14 H13 NO3 S2)

Compound Name

N~2~-benzyl-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophene-2-carboxamide

IUPAC name

N-benzyl-55-dioxo-4H6H-5lambda6-thieno[23-c]thiophene-2-carboxamide

SMILES

O=C(c1cc(CS(C2)(=O)=O)c2s1)NCc1ccccc1

InChI

InChI=1S/C14H13NO3S2/c16-14(15-7-10-4-2-1-3-5-10)12-6-11-8-20(17,18)9-13(11)19-12/h1-6H,7-9H2,(H,15,16)

InChI Key

ODKFOFFWEATISV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.907

Distribution Coefficient, logD

1.907

Water Solubility, LogSw

-2.54

Polar Surface Area

54.028

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C771-0029 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Soluble Diversity Library (15920 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 C771-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C771-0029?
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What is the minimum amount of C771-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C771-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C771-0029
  • 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 C771-0029 available by request