C593-1074 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide

C593-1074 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide
C593-1074 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C593-1074
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-4-oxo-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

C593-1074

Molecular Formula

C21H15NO5S (C21 H15 NO5 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-8-methyl-4-oxo-4H-thieno[32-c]chromene-2-carboxamide

SMILES

Cc(cc1)cc(-c2c3cc(C(Nc(cc4)cc5c4OCCO5)=O)s2)c1OC3=O

InChI

InChI=1S/C21H15NO5S/c1-11-2-4-15-13(8-11)19-14(21(24)27-15)10-18(28-19)20(23)22-12-3-5-16-17(9-12)26-7-6-25-16/h2-5,8-10H,6-7H2,1H3,(H,22,23)

InChI Key

RYIRUUBQGQLZCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.714

Distribution Coefficient, logD

3.714

Water Solubility, LogSw

-3.95

Polar Surface Area

60.821

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C593-1074 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with C593-1074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C593-1074?
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What is the minimum amount of C593-1074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C593-1074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C593-1074
  • 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 C593-1074 available by request