V005-8515 Screening compound: N-{4-[(ethylcarbamoyl)amino]cyclohexyl}-2-{[4-(propan-2-yl)phenoxy]methyl}-1,3-thiazole-4-carboxamide

V005-8515 Screening compound: N-{4-[(ethylcarbamoyl)amino]cyclohexyl}-2-{[4-(propan-2-yl)phenoxy]methyl}-1,3-thiazole-4-carboxamide
V005-8515 Screening compound: N-{4-[(ethylcarbamoyl)amino]cyclohexyl}-2-{[4-(propan-2-yl)phenoxy]methyl}-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-8515
N-{4-[(ethylcarbamoyl)amino]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

V005-8515

Molecular Formula

C23H32N4O3S (C23 H32 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCNC(NC(CC1)CCC1NC(c1csc(COc2ccc(C(C)C)cc2)n1)=O)=O

InChI

InChI=1S/C23H32N4O3S/c1-4-24-23(29)26-18-9-7-17(8-10-18)25-22(28)20-14-31-21(27-20)13-30-19-11-5-16(6-12-19)15(2)3/h5-6,11-12,14-15,17-18H,4,7-10,13H2,1-3H3,(H,25,28)(H2,24,26,29)

InChI Key

XEFHNVXBHGVORK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19968560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.295

Distribution Coefficient, logD

4.295

Water Solubility, LogSw

-4.12

Polar Surface Area

76.483

Acid Dissociation Constant (pKa)

15.11

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

V005-8515 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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 V005-8515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-8515?
Check Price and Availability of V005-8515, 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 V005-8515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-8515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-8515
  • 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 V005-8515 available by request