C771-0063 Screening compound: 5,5-dioxo-N~2~-(3-phenylpropyl)-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophene-2-carboxamide

C771-0063 Screening compound: 5,5-dioxo-N~2~-(3-phenylpropyl)-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophene-2-carboxamide
C771-0063 Screening compound: 5,5-dioxo-N~2~-(3-phenylpropyl)-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C771-0063
5,5-dioxo-N~2~-(3-phenylpropyl)-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

C771-0063

Molecular Formula

C16H17NO3S2 (C16 H17 NO3 S2)

Compound Name

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

IUPAC name

55-dioxo-N-(3-phenylpropyl)-4H6H-5lambda6-thieno[23-c]thiophene-2-carboxamide

SMILES

O=C(c1cc(CS(C2)(=O)=O)c2s1)NCCCc1ccccc1

InChI

InChI=1S/C16H17NO3S2/c18-16(17-8-4-7-12-5-2-1-3-6-12)14-9-13-10-22(19,20)11-15(13)21-14/h1-3,5-6,9H,4,7-8,10-11H2,(H,17,18)

InChI Key

JPKRFNVSSHFOLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.817

Distribution Coefficient, logD

2.817

Water Solubility, LogSw

-3.45

Polar Surface Area

53.869

Acid Dissociation Constant (pKa)

14.69

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C771-0063 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Ion Channels
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C771-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C771-0063?
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What is the minimum amount of C771-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C771-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C771-0063
  • 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 C771-0063 available by request