C712-1031 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide

C712-1031 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
C712-1031 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C712-1031
N-(6-methoxy-1,3-benzothiazol-2-yl)-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

C712-1031

Molecular Formula

C20H14N2O3S2 (C20 H14 N2 O3 S2)

Compound Name

N-(6-methoxy-1,3-benzothiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide

IUPAC name

N-(6-methoxy-13-benzothiazol-2-yl)-4H-thieno[32-c]chromene-2-carboxamide

SMILES

COc(cc1)cc2c1nc(NC(c1cc(COc3c-4cccc3)c4s1)=O)s2

InChI

InChI=1S/C20H14N2O3S2/c1-24-12-6-7-14-16(9-12)27-20(21-14)22-19(23)17-8-11-10-25-15-5-3-2-4-13(15)18(11)26-17/h2-9H,10H2,1H3,(H,21,22,23)

InChI Key

BPGCZGQBDKBCJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.296

Distribution Coefficient, logD

5.296

Water Solubility, LogSw

-5.28

Polar Surface Area

49.752

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C712-1031 in Drug Discovery

Included in Screening Libraries

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C712-1031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C712-1031?
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What is the minimum amount of C712-1031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C712-1031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C712-1031
  • 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 C712-1031 available by request