C593-1132 Screening compound: ethyl 2-{8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-amido}benzoate

C593-1132 Screening compound: ethyl 2-{8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-amido}benzoate
C593-1132 Screening compound: ethyl 2-{8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C593-1132
ethyl 2-{8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-amido}benzoate

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

C593-1132

Molecular Formula

C22H17NO5S (C22 H17 NO5 S)

Compound Name

ethyl 2-{8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-amido}benzoate

IUPAC name

ethyl 2-{8-methyl-4-oxo-4H-thieno[32-c]chromene-2-amido}benzoate

SMILES

CCOC(c(cccc1)c1NC(c1cc(C(Oc2c-3cc(C)cc2)=O)c3s1)=O)=O

InChI

InChI=1S/C22H17NO5S/c1-3-27-21(25)13-6-4-5-7-16(13)23-20(24)18-11-15-19(29-18)14-10-12(2)8-9-17(14)28-22(15)26/h4-11H,3H2,1-2H3,(H,23,24)

InChI Key

CJHSLOYEGWGCAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.208

Distribution Coefficient, logD

5.147

Water Solubility, LogSw

-4.97

Polar Surface Area

65.054

Acid Dissociation Constant (pKa)

8.23

Base Dissociation Constant (pKb)

-5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C593-1132 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C593-1132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C593-1132?
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What is the minimum amount of C593-1132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C593-1132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C593-1132
  • 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 C593-1132 available by request