C712-0332 Screening compound: 9-methyl-N-[2-(thiophen-3-yl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide

C712-0332 Screening compound: 9-methyl-N-[2-(thiophen-3-yl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
C712-0332 Screening compound: 9-methyl-N-[2-(thiophen-3-yl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C712-0332
9-methyl-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

C712-0332

Molecular Formula

C19H17NO2S2 (C19 H17 NO2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(OC2)c1-c1c2cc(C(NCCc2cscc2)=O)s1

InChI

InChI=1S/C19H17NO2S2/c1-12-3-2-4-15-17(12)18-14(10-22-15)9-16(24-18)19(21)20-7-5-13-6-8-23-11-13/h2-4,6,8-9,11H,5,7,10H2,1H3,(H,20,21)

InChI Key

FWYZUYHSHRJWNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.853

Distribution Coefficient, logD

3.853

Water Solubility, LogSw

-4.10

Polar Surface Area

34.628

Acid Dissociation Constant (pKa)

14.93

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

C712-0332 in Drug Discovery

Included in Screening Libraries

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

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C712-0332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C712-0332?
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What is the minimum amount of C712-0332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C712-0332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C712-0332
  • 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 C712-0332 available by request