V004-7272 Screening compound: N-[2-(4-pentylbenzamido)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide

V004-7272 Screening compound: N-[2-(4-pentylbenzamido)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
V004-7272 Screening compound: N-[2-(4-pentylbenzamido)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-7272
N-[2-(4-pentylbenzamido)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide

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

V004-7272

Molecular Formula

C29H35N3O3S (C29 H35 N3 O3 S)

Compound Name

N-[2-(4-pentylbenzamido)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide

IUPAC name

N-[2-(4-pentylbenzamido)cyclohexyl]-2-(phenoxymethyl)-13-thiazole-4-carboxamide

SMILES

CCCCCc(cc1)ccc1C(NC(CCCC1)C1NC(c1csc(COc2ccccc2)n1)=O)=O

InChI

InChI=1S/C29H35N3O3S/c1-2-3-5-10-21-15-17-22(18-16-21)28(33)31-24-13-8-9-14-25(24)32-29(34)26-20-36-27(30-26)19-35-23-11-6-4-7-12-23/h4,6-7,11-12,15-18,20,24-25H,2-3,5,8-10,13-14,19H2,1H3,(H,31,33)(H,32,34)

InChI Key

BUWPABDXOIJKPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19967918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.858

Distribution Coefficient, logD

6.858

Water Solubility, LogSw

-5.67

Polar Surface Area

66.832

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-2.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.40

V004-7272 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V004-7272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-7272?
Check Price and Availability of V004-7272, 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 V004-7272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-7272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-7272
  • 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 V004-7272 available by request