C918-0306 Screening compound: 4-{7-chloro-4H-thieno[3,2-c]thiochromene-2-carbonyl}-2-methyl-1-(4-methylphenyl)piperazine

C918-0306 Screening compound: 4-{7-chloro-4H-thieno[3,2-c]thiochromene-2-carbonyl}-2-methyl-1-(4-methylphenyl)piperazine
C918-0306 Screening compound: 4-{7-chloro-4H-thieno[3,2-c]thiochromene-2-carbonyl}-2-methyl-1-(4-methylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C918-0306
4-{7-chloro-4H-thieno[3,2-c]thiochromene-2-carbonyl}-2-methyl-1-(4-methylphenyl)piperazine

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

C918-0306

Molecular Formula

C24H23ClN2OS2 (C24 H23 ClN2 OS2)

Compound Name

4-{7-chloro-4H-thieno[3,2-c]thiochromene-2-carbonyl}-2-methyl-1-(4-methylphenyl)piperazine

IUPAC name

4-{7-chloro-4H-thieno[32-c]thiochromene-2-carbonyl}-2-methyl-1-(4-methylphenyl)piperazine

SMILES

CC(CN(CC1)C(c2cc(CSc3c-4ccc(Cl)c3)c4s2)=O)N1c1ccc(C)cc1

InChI

InChI=1S/C24H23ClN2OS2/c1-15-3-6-19(7-4-15)27-10-9-26(13-16(27)2)24(28)22-11-17-14-29-21-12-18(25)5-8-20(21)23(17)30-22/h3-8,11-12,16H,9-10,13-14H2,1-2H3/t16-/m0/s1

InChI Key

KSSFSUKFLJCHTG-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14808501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.04

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.215

Distribution Coefficient, logD

6.215

Water Solubility, LogSw

-6.06

Polar Surface Area

20.033

Acid Dissociation Constant (pKa)

24.79

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

C918-0306 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 C918-0306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C918-0306?
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What is the minimum amount of C918-0306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C918-0306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C918-0306
  • 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 C918-0306 available by request