V004-7084 Screening compound: 2-chloro-N-{3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-4-nitrobenzamide

V004-7084 Screening compound: 2-chloro-N-{3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-4-nitrobenzamide
V004-7084 Screening compound: 2-chloro-N-{3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-7084
2-chloro-N-{3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-4-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

V004-7084

Molecular Formula

C23H18ClN3O4S (C23 H18 ClN3 O4 S)

Compound Name

2-chloro-N-{3-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-4-nitrobenzamide

IUPAC name

2-chloro-N-{3-[3-(4-methylphenyl)-4-oxo-13-thiazolidin-2-yl]phenyl}-4-nitrobenzamide

SMILES

Cc(cc1)ccc1N(C(c1cccc(NC(c(ccc([N+]([O-])=O)c2)c2Cl)=O)c1)SC1)C1=O

InChI

InChI=1S/C23H18ClN3O4S/c1-14-5-7-17(8-6-14)26-21(28)13-32-23(26)15-3-2-4-16(11-15)25-22(29)19-10-9-18(27(30)31)12-20(19)24/h2-12,23H,13H2,1H3,(H,25,29)/t23-/m0/s1

InChI Key

WMWKIRLTACKCTP-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19855334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.93

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

5.079

Distribution Coefficient, logD

5.077

Water Solubility, LogSw

-5.42

Polar Surface Area

72.606

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

V004-7084 in Drug Discovery

Included in Screening Libraries

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 V004-7084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-7084?
Check Price and Availability of V004-7084, 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 V004-7084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-7084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-7084
  • 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 V004-7084 available by request