C918-0205 Screening compound: 7-chloro-N~2~-{2-[cyclohexyl(methyl)amino]ethyl}-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide

C918-0205 Screening compound: 7-chloro-N~2~-{2-[cyclohexyl(methyl)amino]ethyl}-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide
C918-0205 Screening compound: 7-chloro-N~2~-{2-[cyclohexyl(methyl)amino]ethyl}-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C918-0205
7-chloro-N~2~-{2-[cyclohexyl(methyl)amino]ethyl}-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

C918-0205

Molecular Formula

C21H25ClN2O3S2 (C21 H25 ClN2 O3 S2)

Compound Name

7-chloro-N~2~-{2-[cyclohexyl(methyl)amino]ethyl}-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide

IUPAC name

7-chloro-N-{2-[cyclohexyl(methyl)amino]ethyl}-55-dioxo-4H-5lambda6-thieno[32-c]thiochromene-2-carboxamide

SMILES

CN(CCNC(c1cc(CS(c2c-3ccc(Cl)c2)(=O)=O)c3s1)=O)C1CCCCC1

InChI

InChI=1S/C21H25ClN2O3S2/c1-24(16-5-3-2-4-6-16)10-9-23-21(25)18-11-14-13-29(26,27)19-12-15(22)7-8-17(19)20(14)28-18/h7-8,11-12,16H,2-6,9-10,13H2,1H3,(H,23,25)

InChI Key

JRFFAYGFTLGJOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.046

Distribution Coefficient, logD

2.824

Water Solubility, LogSw

-4.44

Polar Surface Area

56.724

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

8.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

C918-0205 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C918-0205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C918-0205?
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What is the minimum amount of C918-0205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C918-0205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C918-0205
  • 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 C918-0205 available by request