C794-0490 Screening compound: ethyl 2-{[({4H-thieno[3,2-b]pyrrol-5-yl}formohydrazido)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

C794-0490 Screening compound: ethyl 2-{[({4H-thieno[3,2-b]pyrrol-5-yl}formohydrazido)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
C794-0490 Screening compound: ethyl 2-{[({4H-thieno[3,2-b]pyrrol-5-yl}formohydrazido)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0490
ethyl 2-{[({4H-thieno[3,2-b]pyrrol-5-yl}formohydrazido)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

C794-0490

Molecular Formula

C19H20N4O4S2 (C19 H20 N4 O4 S2)

Compound Name

ethyl 2-{[({4H-thieno[3,2-b]pyrrol-5-yl}formohydrazido)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-{[({4H-thieno[32-b]pyrrol-5-yl}formohydrazido)carbonyl]amino}-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(NNC(c2cc(scc3)c3[nH]2)=O)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C19H20N4O4S2/c1-2-27-18(25)15-10-5-3-4-6-13(10)29-17(15)21-19(26)23-22-16(24)12-9-14-11(20-12)7-8-28-14/h7-9,20H,2-6H2,1H3,(H,22,24)(H2,21,23,26)

InChI Key

AXABEXVGHNYCBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.360

Distribution Coefficient, logD

-0.273

Water Solubility, LogSw

-3.71

Polar Surface Area

91.483

Acid Dissociation Constant (pKa)

3.77

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

C794-0490 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C794-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0490?
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What is the minimum amount of C794-0490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0490
  • 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 C794-0490 available by request