C918-0136 Screening compound: 7-chloro-5,5-dioxo-N~2~-(1,2,3,4-tetrahydro-1-naphthalenyl)-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide

C918-0136 Screening compound: 7-chloro-5,5-dioxo-N~2~-(1,2,3,4-tetrahydro-1-naphthalenyl)-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide
C918-0136 Screening compound: 7-chloro-5,5-dioxo-N~2~-(1,2,3,4-tetrahydro-1-naphthalenyl)-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C918-0136
7-chloro-5,5-dioxo-N~2~-(1,2,3,4-tetrahydro-1-naphthalenyl)-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

C918-0136

Molecular Formula

C22H18ClNO3S2 (C22 H18 ClNO3 S2)

Compound Name

7-chloro-5,5-dioxo-N~2~-(1,2,3,4-tetrahydro-1-naphthalenyl)-4,5-dihydro-5lambda~6~-thieno[3,2-c]thiochromene-2-carboxamide

IUPAC name

7-chloro-55-dioxo-N-(1234-tetrahydronaphthalen-1-yl)-4H-5lambda6-thieno[32-c]thiochromene-2-carboxamide

SMILES

O=C(c1cc(CS(c2c-3ccc(Cl)c2)(=O)=O)c3s1)NC(CCC1)c2c1cccc2

InChI

InChI=1S/C22H18ClNO3S2/c23-15-8-9-17-20(11-15)29(26,27)12-14-10-19(28-21(14)17)22(25)24-18-7-3-5-13-4-1-2-6-16(13)18/h1-2,4,6,8-11,18H,3,5,7,12H2,(H,24,25)/t18-/m0/s1

InChI Key

UHAMEJWRAAMBDQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14808383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.229

Distribution Coefficient, logD

5.229

Water Solubility, LogSw

-5.63

Polar Surface Area

53.689

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

C918-0136 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C918-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C918-0136?
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What is the minimum amount of C918-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C918-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C918-0136
  • 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 C918-0136 available by request