V002-4038 Screening compound: 4-chloro-N~1~-isopropyl-N~1~-[2-oxo-2-({4-[2-oxo-2-(phenethylamino)ethyl]-1,3-thiazol-2-yl}amino)ethyl]benzamide

V002-4038 Screening compound: 4-chloro-N~1~-isopropyl-N~1~-[2-oxo-2-({4-[2-oxo-2-(phenethylamino)ethyl]-1,3-thiazol-2-yl}amino)ethyl]benzamide
V002-4038 Screening compound: 4-chloro-N~1~-isopropyl-N~1~-[2-oxo-2-({4-[2-oxo-2-(phenethylamino)ethyl]-1,3-thiazol-2-yl}amino)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-4038
4-chloro-N~1~-isopropyl-N~1~-[2-oxo-2-({4-[2-oxo-2-(phenethylamino)ethyl]-1,3-thiazol-2-yl}amino)ethyl]benzamide

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

V002-4038

Molecular Formula

C25H27ClN4O3S (C25 H27 ClN4 O3 S)

Compound Name

4-chloro-N~1~-isopropyl-N~1~-[2-oxo-2-({4-[2-oxo-2-(phenethylamino)ethyl]-1,3-thiazol-2-yl}amino)ethyl]benzamide

IUPAC name

2-[1-(4-chlorophenyl)-N-(propan-2-yl)formamido]-N-(4-{[(2-phenylethyl)carbamoyl]methyl}-13-thiazol-2-yl)acetamide

SMILES

CC(C)N(CC(Nc1nc(CC(NCCc2ccccc2)=O)cs1)=O)C(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C25H27ClN4O3S/c1-17(2)30(24(33)19-8-10-20(26)11-9-19)15-23(32)29-25-28-21(16-34-25)14-22(31)27-13-12-18-6-4-3-5-7-18/h3-11,16-17H,12-15H2,1-2H3,(H,27,31)(H,28,29,32)

InChI Key

IVAARIZTIMUQOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19765405

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

499.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.059

Distribution Coefficient, logD

4.057

Water Solubility, LogSw

-4.56

Polar Surface Area

73.926

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

V002-4038 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V002-4038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4038?
Check Price and Availability of V002-4038, 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 V002-4038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4038
  • 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 V002-4038 available by request