V012-5847 Screening compound: N-{4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-3-nitrobenzamide

V012-5847 Screening compound: N-{4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-3-nitrobenzamide
V012-5847 Screening compound: N-{4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-5847
N-{4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-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

V012-5847

Molecular Formula

C23H19N3O5S (C23 H19 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N(C(c(cc1)ccc1NC(c1cc([N+]([O-])=O)ccc1)=O)SC1)C1=O

InChI

InChI=1S/C23H19N3O5S/c1-31-20-11-9-18(10-12-20)25-21(27)14-32-23(25)15-5-7-17(8-6-15)24-22(28)16-3-2-4-19(13-16)26(29)30/h2-13,23H,14H2,1H3,(H,24,28)/t23-/m0/s1

InChI Key

IFNYOVIPQXJJFV-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19855368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.016

Distribution Coefficient, logD

4.015

Water Solubility, LogSw

-4.31

Polar Surface Area

80.149

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

V012-5847 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V012-5847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-5847?
Check Price and Availability of V012-5847, 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 V012-5847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-5847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-5847
  • 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 V012-5847 available by request