C593-1113 Screening compound: 8-methyl-4-oxo-N-[(pyridin-3-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide

C593-1113 Screening compound: 8-methyl-4-oxo-N-[(pyridin-3-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide
C593-1113 Screening compound: 8-methyl-4-oxo-N-[(pyridin-3-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C593-1113
8-methyl-4-oxo-N-[(pyridin-3-yl)methyl]-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

C593-1113

Molecular Formula

C19H14N2O3S (C19 H14 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(-c2c3cc(C(NCc4cnccc4)=O)s2)c1OC3=O

InChI

InChI=1S/C19H14N2O3S/c1-11-4-5-15-13(7-11)17-14(19(23)24-15)8-16(25-17)18(22)21-10-12-3-2-6-20-9-12/h2-9H,10H2,1H3,(H,21,22)

InChI Key

CAFKNCDWMFVGDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.102

Distribution Coefficient, logD

3.102

Water Solubility, LogSw

-3.25

Polar Surface Area

55.838

Acid Dissociation Constant (pKa)

13.42

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

C593-1113 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C593-1113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C593-1113?
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What is the minimum amount of C593-1113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C593-1113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C593-1113
  • 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 C593-1113 available by request