V002-4061 Screening compound: 2-[1-(2,4-dichlorophenyl)-N-(propan-2-yl)formamido]-N-(4-{[(3,4-dimethylphenyl)carbamoyl]methyl}-1,3-thiazol-2-yl)acetamide

V002-4061 Screening compound: 2-[1-(2,4-dichlorophenyl)-N-(propan-2-yl)formamido]-N-(4-{[(3,4-dimethylphenyl)carbamoyl]methyl}-1,3-thiazol-2-yl)acetamide
V002-4061 Screening compound: 2-[1-(2,4-dichlorophenyl)-N-(propan-2-yl)formamido]-N-(4-{[(3,4-dimethylphenyl)carbamoyl]methyl}-1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-4061
2-[1-(2,4-dichlorophenyl)-N-(propan-2-yl)formamido]-N-(4-{[(3,4-dimethylphenyl)carbamoyl]methyl}-1,3-thiazol-2-yl)acetamide

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

V002-4061

Molecular Formula

C25H26Cl2N4O3S (C25 H26 Cl2 N4 O3 S)

Compound Name

2-[1-(2,4-dichlorophenyl)-N-(propan-2-yl)formamido]-N-(4-{[(3,4-dimethylphenyl)carbamoyl]methyl}-1,3-thiazol-2-yl)acetamide

IUPAC name

2-[1-(24-dichlorophenyl)-N-(propan-2-yl)formamido]-N-(4-{[(34-dimethylphenyl)carbamoyl]methyl}-13-thiazol-2-yl)acetamide

SMILES

CC(C)N(CC(Nc1nc(CC(Nc2cc(C)c(C)cc2)=O)cs1)=O)C(c(ccc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C25H26Cl2N4O3S/c1-14(2)31(24(34)20-8-6-17(26)10-21(20)27)12-23(33)30-25-29-19(13-35-25)11-22(32)28-18-7-5-15(3)16(4)9-18/h5-10,13-14H,11-12H2,1-4H3,(H,28,32)(H,29,30,33)

InChI Key

ZWFBEUHLOXVJIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19756367

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

533.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.063

Distribution Coefficient, logD

6.061

Water Solubility, LogSw

-6.10

Polar Surface Area

72.762

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

V002-4061 in Drug Discovery

Included in Screening Libraries

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

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 V002-4061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4061?
Check Price and Availability of V002-4061, 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 V002-4061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4061
  • 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 V002-4061 available by request