C918-0264 Screening compound: 1-{7-chloro-4H-thieno[3,2-c]thiochromene-2-carbonyl}-4-(4-nitrophenyl)piperazine

C918-0264 Screening compound: 1-{7-chloro-4H-thieno[3,2-c]thiochromene-2-carbonyl}-4-(4-nitrophenyl)piperazine
C918-0264 Screening compound: 1-{7-chloro-4H-thieno[3,2-c]thiochromene-2-carbonyl}-4-(4-nitrophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C918-0264
1-{7-chloro-4H-thieno[3,2-c]thiochromene-2-carbonyl}-4-(4-nitrophenyl)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

C918-0264

Molecular Formula

C22H18ClN3O3S2 (C22 H18 ClN3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1N(CC1)CCN1C(c1cc(CSc2c-3ccc(Cl)c2)c3s1)=O)=O

InChI

InChI=1S/C22H18ClN3O3S2/c23-15-1-6-18-19(12-15)30-13-14-11-20(31-21(14)18)22(27)25-9-7-24(8-10-25)16-2-4-17(5-3-16)26(28)29/h1-6,11-12H,7-10,13H2

InChI Key

CKVRMTRBGFWHIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.525

Distribution Coefficient, logD

5.525

Water Solubility, LogSw

-5.99

Polar Surface Area

54.196

Acid Dissociation Constant (pKa)

24.79

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with C918-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C918-0264?
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What is the minimum amount of C918-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C918-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C918-0264
  • 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 C918-0264 available by request