V005-8211 Screening compound: N-[4-(2-chlorobenzamido)cyclohexyl]-2-{[4-(propan-2-yl)phenoxy]methyl}-1,3-thiazole-4-carboxamide

V005-8211 Screening compound: N-[4-(2-chlorobenzamido)cyclohexyl]-2-{[4-(propan-2-yl)phenoxy]methyl}-1,3-thiazole-4-carboxamide
V005-8211 Screening compound: N-[4-(2-chlorobenzamido)cyclohexyl]-2-{[4-(propan-2-yl)phenoxy]methyl}-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-8211
N-[4-(2-chlorobenzamido)cyclohexyl]-2-{[4-(propan-2-yl)phenoxy]methyl}-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

V005-8211

Molecular Formula

C27H30ClN3O3S (C27 H30 ClN3 O3 S)

Compound Name

N-[4-(2-chlorobenzamido)cyclohexyl]-2-{[4-(propan-2-yl)phenoxy]methyl}-1,3-thiazole-4-carboxamide

IUPAC name

N-[4-(2-chlorobenzamido)cyclohexyl]-2-{[4-(propan-2-yl)phenoxy]methyl}-13-thiazole-4-carboxamide

SMILES

CC(C)c(cc1)ccc1OCc1nc(C(NC(CC2)CCC2NC(c(cccc2)c2Cl)=O)=O)cs1

InChI

InChI=1S/C27H30ClN3O3S/c1-17(2)18-7-13-21(14-8-18)34-15-25-31-24(16-35-25)27(33)30-20-11-9-19(10-12-20)29-26(32)22-5-3-4-6-23(22)28/h3-8,13-14,16-17,19-20H,9-12,15H2,1-2H3,(H,29,32)(H,30,33)

InChI Key

ZVYPAYPMCREZRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19968157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.07

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.243

Distribution Coefficient, logD

6.243

Water Solubility, LogSw

-5.93

Polar Surface Area

66.052

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

V005-8211 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V005-8211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-8211?
Check Price and Availability of V005-8211, 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 V005-8211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-8211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-8211
  • 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 V005-8211 available by request