V001-8422 Screening compound: 4-CHLORO-N-{4-[3-(2,3-DIHYDRO-1H-INDEN-5-YL)-4-OXO-1,3-THIAZOLAN-2-YL]PHENYL}-3-NITROBENZAMIDE

V001-8422 Screening compound: 4-CHLORO-N-{4-[3-(2,3-DIHYDRO-1H-INDEN-5-YL)-4-OXO-1,3-THIAZOLAN-2-YL]PHENYL}-3-NITROBENZAMIDE
V001-8422 Screening compound: 4-CHLORO-N-{4-[3-(2,3-DIHYDRO-1H-INDEN-5-YL)-4-OXO-1,3-THIAZOLAN-2-YL]PHENYL}-3-NITROBENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-8422
4-CHLORO-N-{4-[3-(2,3-DIHYDRO-1H-INDEN-5-YL)-4-OXO-1,3-THIAZOLAN-2-YL]PHENYL}-3-NITROBENZAMIDE

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

V001-8422

Molecular Formula

C25H20ClN3O4S (C25 H20 ClN3 O4 S)

Compound Name

4-CHLORO-N-{4-[3-(2,3-DIHYDRO-1H-INDEN-5-YL)-4-OXO-1,3-THIAZOLAN-2-YL]PHENYL}-3-NITROBENZAMIDE

IUPAC name

4-chloro-N-{4-[3-(23-dihydro-1H-inden-5-yl)-4-oxo-13-thiazolidin-2-yl]phenyl}-3-nitrobenzamide

SMILES

[O-][N+](c(cc(cc1)C(Nc2ccc(C(N3c4cc(CCC5)c5cc4)SCC3=O)cc2)=O)c1Cl)=O

InChI

InChI=1S/C25H20ClN3O4S/c26-21-11-7-18(13-22(21)29(32)33)24(31)27-19-8-4-16(5-9-19)25-28(23(30)14-34-25)20-10-6-15-2-1-3-17(15)12-20/h4-13,25H,1-3,14H2,(H,27,31)/t25-/m0/s1

InChI Key

MVOHWEGKMQUDJZ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19858524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.97

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.145

Distribution Coefficient, logD

5.135

Water Solubility, LogSw

-5.91

Polar Surface Area

72.591

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

V001-8422 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V001-8422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-8422?
Check Price and Availability of V001-8422, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V001-8422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-8422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-8422
  • 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 V001-8422 available by request