C795-2536 Screening compound: 1-[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]-2-{2-[(2-fluorophenyl)sulfanyl]-1H-indol-3-yl}ethan-1-one

C795-2536 Screening compound: 1-[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]-2-{2-[(2-fluorophenyl)sulfanyl]-1H-indol-3-yl}ethan-1-one
C795-2536 Screening compound: 1-[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]-2-{2-[(2-fluorophenyl)sulfanyl]-1H-indol-3-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-2536
1-[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]-2-{2-[(2-fluorophenyl)sulfanyl]-1H-indol-3-yl}ethan-1-one

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

C795-2536

Molecular Formula

C26H23ClFN3O3S2 (C26 H23 ClFN3 O3 S2)

Compound Name

1-[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]-2-{2-[(2-fluorophenyl)sulfanyl]-1H-indol-3-yl}ethan-1-one

IUPAC name

1-[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]-2-{2-[(2-fluorophenyl)sulfanyl]-1H-indol-3-yl}ethan-1-one

SMILES

O=C(Cc(c(cccc1)c1[nH]1)c1Sc(cccc1)c1F)N(CC1)CCN1S(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C26H23ClFN3O3S2/c27-18-9-11-19(12-10-18)36(33,34)31-15-13-30(14-16-31)25(32)17-21-20-5-1-3-7-23(20)29-26(21)35-24-8-4-2-6-22(24)28/h1-12,29H,13-17H2

InChI Key

PNSZBNWQSYZDQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.07

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.163

Distribution Coefficient, logD

5.163

Water Solubility, LogSw

-5.76

Polar Surface Area

57.087

Acid Dissociation Constant (pKa)

16.33

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

C795-2536 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C795-2536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-2536?
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What is the minimum amount of C795-2536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-2536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-2536
  • 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 C795-2536 available by request