C593-1380 Screening compound: 8-methyl-4-oxo-N-[2-(thiophen-3-yl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide

C593-1380 Screening compound: 8-methyl-4-oxo-N-[2-(thiophen-3-yl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
C593-1380 Screening compound: 8-methyl-4-oxo-N-[2-(thiophen-3-yl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C593-1380
8-methyl-4-oxo-N-[2-(thiophen-3-yl)ethyl]-4H-thieno[3,2-c]chromene-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

C593-1380

Molecular Formula

C19H15NO3S2 (C19 H15 NO3 S2)

Compound Name

8-methyl-4-oxo-N-[2-(thiophen-3-yl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide

IUPAC name

8-methyl-4-oxo-N-[2-(thiophen-3-yl)ethyl]-4H-thieno[32-c]chromene-2-carboxamide

SMILES

Cc(cc1)cc(-c2c3cc(C(NCCc4cscc4)=O)s2)c1OC3=O

InChI

InChI=1S/C19H15NO3S2/c1-11-2-3-15-13(8-11)17-14(19(22)23-15)9-16(25-17)18(21)20-6-4-12-5-7-24-10-12/h2-3,5,7-10H,4,6H2,1H3,(H,20,21)

InChI Key

KPJQEXHUOIXZNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.911

Distribution Coefficient, logD

3.911

Water Solubility, LogSw

-4.01

Polar Surface Area

47.180

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C593-1380 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C593-1380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C593-1380?
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What is the minimum amount of C593-1380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C593-1380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C593-1380
  • 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 C593-1380 available by request