7840-5243 Screening compound: 2-[4-(2-oxo-2H-chromen-3-yl)benzamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

7840-5243 Screening compound: 2-[4-(2-oxo-2H-chromen-3-yl)benzamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
7840-5243 Screening compound: 2-[4-(2-oxo-2H-chromen-3-yl)benzamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7840-5243
2-[4-(2-oxo-2H-chromen-3-yl)benzamido]-4H,5H,6H-cyclopenta[b]thiophene-3-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

7840-5243

Molecular Formula

C24H18N2O4S (C24 H18 N2 O4 S)

Compound Name

2-[4-(2-oxo-2H-chromen-3-yl)benzamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

IUPAC name

2-[4-(2-oxo-2H-chromen-3-yl)benzamido]-4H5H6H-cyclopenta[b]thiophene-3-carboxamide

SMILES

NC(c1c(NC(c(cc2)ccc2C2=Cc(cccc3)c3OC2=O)=O)sc2c1CCC2)=O

InChI

InChI=1S/C24H18N2O4S/c25-21(27)20-16-5-3-7-19(16)31-23(20)26-22(28)14-10-8-13(9-11-14)17-12-15-4-1-2-6-18(15)30-24(17)29/h1-2,4,6,8-12H,3,5,7H2,(H2,25,27)(H,26,28)

InChI Key

KODFWBUCVZKJNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05852305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.704

Distribution Coefficient, logD

0.978

Water Solubility, LogSw

-3.37

Polar Surface Area

78.120

Acid Dissociation Constant (pKa)

5.68

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

7840-5243 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7840-5243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7840-5243?
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What is the minimum amount of 7840-5243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7840-5243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7840-5243
  • 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 7840-5243 available by request