V001-0084 Screening compound: 4-[2-(2-chloro-2-phenylacetamido)-3-phenylpropanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide

V001-0084 Screening compound: 4-[2-(2-chloro-2-phenylacetamido)-3-phenylpropanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide
V001-0084 Screening compound: 4-[2-(2-chloro-2-phenylacetamido)-3-phenylpropanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-0084
4-[2-(2-chloro-2-phenylacetamido)-3-phenylpropanoyl]-2-methyl-N-phenylpiperazine-1-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

V001-0084

Molecular Formula

C29H31ClN4O3 (C29 H31 ClN4 O3)

Compound Name

4-[2-(2-chloro-2-phenylacetamido)-3-phenylpropanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide

IUPAC name

4-[2-(2-chloro-2-phenylacetamido)-3-phenylpropanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide

SMILES

CC(CN(CC1)C(C(Cc2ccccc2)NC(C(c2ccccc2)Cl)=O)=O)N1C(Nc1ccccc1)=O

InChI

InChI=1S/C29H31ClN4O3/c1-21-20-33(17-18-34(21)29(37)31-24-15-9-4-10-16-24)28(36)25(19-22-11-5-2-6-12-22)32-27(35)26(30)23-13-7-3-8-14-23/h2-16,21,25-26H,17-20H2,1H3,(H,31,37)(H,32,35)

InChI Key

FTDRLADUZWUYBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19715171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.04

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.208

Distribution Coefficient, logD

4.207

Water Solubility, LogSw

-4.13

Polar Surface Area

65.426

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

27.60

V001-0084 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V001-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-0084?
Check Price and Availability of V001-0084, 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 V001-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-0084
  • 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 V001-0084 available by request