C918-0073 Screening compound: 7-chloro-N~2~-(4-isopropylphenyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide

C918-0073 Screening compound: 7-chloro-N~2~-(4-isopropylphenyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide
C918-0073 Screening compound: 7-chloro-N~2~-(4-isopropylphenyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C918-0073
7-chloro-N~2~-(4-isopropylphenyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-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

C918-0073

Molecular Formula

C21H18ClNO3S2 (C21 H18 ClNO3 S2)

Compound Name

7-chloro-N~2~-(4-isopropylphenyl)-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide

IUPAC name

7-chloro-55-dioxo-N-[4-(propan-2-yl)phenyl]-4H-5lambda6-thieno[32-c]thiochromene-2-carboxamide

SMILES

CC(C)c(cc1)ccc1NC(c1cc(CS(c2c-3ccc(Cl)c2)(=O)=O)c3s1)=O

InChI

InChI=1S/C21H18ClNO3S2/c1-12(2)13-3-6-16(7-4-13)23-21(24)18-9-14-11-28(25,26)19-10-15(22)5-8-17(19)20(14)27-18/h3-10,12H,11H2,1-2H3,(H,23,24)

InChI Key

RGFAVJFXHLEQSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.875

Distribution Coefficient, logD

5.875

Water Solubility, LogSw

-6.10

Polar Surface Area

52.523

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with C918-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C918-0073?
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What is the minimum amount of C918-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C918-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C918-0073
  • 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 C918-0073 available by request