C918-0210 Screening compound: 7-chloro-N~2~-(2-furylmethyl)-N~2~-isopentyl-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide

C918-0210 Screening compound: 7-chloro-N~2~-(2-furylmethyl)-N~2~-isopentyl-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide
C918-0210 Screening compound: 7-chloro-N~2~-(2-furylmethyl)-N~2~-isopentyl-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C918-0210
7-chloro-N~2~-(2-furylmethyl)-N~2~-isopentyl-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

C918-0210

Molecular Formula

C22H22ClNO4S2 (C22 H22 ClNO4 S2)

Compound Name

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

IUPAC name

7-chloro-N-[(furan-2-yl)methyl]-N-(3-methylbutyl)-55-dioxo-4H-5lambda6-thieno[32-c]thiochromene-2-carboxamide

SMILES

CC(C)CCN(Cc1ccco1)C(c1cc(CS(c2c-3ccc(Cl)c2)(=O)=O)c3s1)=O

InChI

InChI=1S/C22H22ClNO4S2/c1-14(2)7-8-24(12-17-4-3-9-28-17)22(25)19-10-15-13-30(26,27)20-11-16(23)5-6-18(20)21(15)29-19/h3-6,9-11,14H,7-8,12-13H2,1-2H3

InChI Key

QVDHOJBVGQMMBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.556

Distribution Coefficient, logD

5.556

Water Solubility, LogSw

-5.89

Polar Surface Area

53.370

Acid Dissociation Constant (pKa)

19.14

Base Dissociation Constant (pKb)

-3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with C918-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C918-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C918-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C918-0210
  • 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 C918-0210 available by request