V005-6048 Screening compound: N-[4-(4-chlorobenzenesulfonamido)cyclohexyl]-2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3-thiazole-4-carboxamide

V005-6048 Screening compound: N-[4-(4-chlorobenzenesulfonamido)cyclohexyl]-2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3-thiazole-4-carboxamide
V005-6048 Screening compound: N-[4-(4-chlorobenzenesulfonamido)cyclohexyl]-2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-6048
N-[4-(4-chlorobenzenesulfonamido)cyclohexyl]-2-{[5-methyl-2-(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

V005-6048

Molecular Formula

C27H32ClN3O4S2 (C27 H32 ClN3 O4 S2)

Compound Name

N-[4-(4-chlorobenzenesulfonamido)cyclohexyl]-2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3-thiazole-4-carboxamide

IUPAC name

N-[4-(4-chlorobenzenesulfonamido)cyclohexyl]-2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-13-thiazole-4-carboxamide

SMILES

CC(C)c(ccc(C)c1)c1OCc1nc(C(NC(CC2)CCC2NS(c(cc2)ccc2Cl)(=O)=O)=O)cs1

InChI

InChI=1S/C27H32ClN3O4S2/c1-17(2)23-13-4-18(3)14-25(23)35-15-26-30-24(16-36-26)27(32)29-20-7-9-21(10-8-20)31-37(33,34)22-11-5-19(28)6-12-22/h4-6,11-14,16-17,20-21,31H,7-10,15H2,1-3H3,(H,29,32)

InChI Key

PPGMOAPRERULAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19968649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.15

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.783

Distribution Coefficient, logD

6.783

Water Solubility, LogSw

-6.27

Polar Surface Area

83.697

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

-1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

V005-6048 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V005-6048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-6048?
Check Price and Availability of V005-6048, 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 V005-6048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-6048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-6048
  • 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 V005-6048 available by request