V002-0771 Screening compound: 2,4-dichloro-N-isobutyl-N-[2-oxo-2-({4-[2-oxo-2-(phenethylamino)ethyl]-1,3-thiazol-2-yl}amino)ethyl]benzamide

V002-0771 Screening compound: 2,4-dichloro-N-isobutyl-N-[2-oxo-2-({4-[2-oxo-2-(phenethylamino)ethyl]-1,3-thiazol-2-yl}amino)ethyl]benzamide
V002-0771 Screening compound: 2,4-dichloro-N-isobutyl-N-[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 V002-0771
2,4-dichloro-N-isobutyl-N-[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

V002-0771

Molecular Formula

C26H28Cl2N4O3S (C26 H28 Cl2 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN(CC(Nc1nc(CC(NCCc2ccccc2)=O)cs1)=O)C(c(ccc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C26H28Cl2N4O3S/c1-17(2)14-32(25(35)21-9-8-19(27)12-22(21)28)15-24(34)31-26-30-20(16-36-26)13-23(33)29-11-10-18-6-4-3-5-7-18/h3-9,12,16-17H,10-11,13-15H2,1-2H3,(H,29,33)(H,30,31,34)

InChI Key

HUFOQGMCKFBFKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19756512

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

547.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.854

Distribution Coefficient, logD

4.852

Water Solubility, LogSw

-5.00

Polar Surface Area

74.182

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

V002-0771 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V002-0771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-0771?
Check Price and Availability of V002-0771, 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 V002-0771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-0771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-0771
  • 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 V002-0771 available by request