V004-5331 Screening compound: N-{3-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}cyclohexanecarboxamide

V004-5331 Screening compound: N-{3-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}cyclohexanecarboxamide
V004-5331 Screening compound: N-{3-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5331
N-{3-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}cyclohexanecarboxamide

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

V004-5331

Molecular Formula

C26H32N2O2S (C26 H32 N2 O2 S)

Compound Name

N-{3-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}cyclohexanecarboxamide

IUPAC name

N-{3-[3-(4-tert-butylphenyl)-4-oxo-13-thiazolidin-2-yl]phenyl}cyclohexanecarboxamide

SMILES

CC(C)(C)c(cc1)ccc1N(C(c1cc(NC(C2CCCCC2)=O)ccc1)SC1)C1=O

InChI

InChI=1S/C26H32N2O2S/c1-26(2,3)20-12-14-22(15-13-20)28-23(29)17-31-25(28)19-10-7-11-21(16-19)27-24(30)18-8-5-4-6-9-18/h7,10-16,18,25H,4-6,8-9,17H2,1-3H3,(H,27,30)/t25-/m0/s1

InChI Key

JUEKJWWTDPYSOX-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19861488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.077

Distribution Coefficient, logD

6.077

Water Solubility, LogSw

-5.33

Polar Surface Area

39.416

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

V004-5331 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with V004-5331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5331?
Check Price and Availability of V004-5331, 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 V004-5331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5331
  • 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 V004-5331 available by request