C712-0238 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

C712-0238 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
C712-0238 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C712-0238
N-(6-ethoxy-1,3-benzothiazol-2-yl)-9-methyl-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

C712-0238

Molecular Formula

C22H18N2O3S2 (C22 H18 N2 O3 S2)

Compound Name

N-(6-ethoxy-1,3-benzothiazol-2-yl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

IUPAC name

N-(6-ethoxy-13-benzothiazol-2-yl)-9-methyl-4H-thieno[32-c]chromene-2-carboxamide

SMILES

CCOc(cc1)cc2c1nc(NC(c1cc(COc3c-4c(C)ccc3)c4s1)=O)s2

InChI

InChI=1S/C22H18N2O3S2/c1-3-26-14-7-8-15-17(10-14)29-22(23-15)24-21(25)18-9-13-11-27-16-6-4-5-12(2)19(16)20(13)28-18/h4-10H,3,11H2,1-2H3,(H,23,24,25)

InChI Key

KOHYXBDWQKEVEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.997

Distribution Coefficient, logD

5.997

Water Solubility, LogSw

-5.52

Polar Surface Area

49.331

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with C712-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C712-0238?
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What is the minimum amount of C712-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C712-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C712-0238
  • 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 C712-0238 available by request