V004-0166 Screening compound: 1-(3-CHLOROBENZOYL)-N-CYCLOPROPYL-4-PHENYLPYRROLIDINE-3-CARBOXAMIDE

V004-0166 Screening compound: 1-(3-CHLOROBENZOYL)-N-CYCLOPROPYL-4-PHENYLPYRROLIDINE-3-CARBOXAMIDE
V004-0166 Screening compound: 1-(3-CHLOROBENZOYL)-N-CYCLOPROPYL-4-PHENYLPYRROLIDINE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-0166
1-(3-CHLOROBENZOYL)-N-CYCLOPROPYL-4-PHENYLPYRROLIDINE-3-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

V004-0166

Molecular Formula

C21H21ClN2O2 (C21 H21 ClN2 O2)

Compound Name

1-(3-CHLOROBENZOYL)-N-CYCLOPROPYL-4-PHENYLPYRROLIDINE-3-CARBOXAMIDE

IUPAC name

n/a

SMILES

O=C(C(CN(C1)C(c2cccc(Cl)c2)=O)C1c1ccccc1)NC1CC1

InChI

InChI=1S/C21H21ClN2O2/c22-16-8-4-7-15(11-16)21(26)24-12-18(14-5-2-1-3-6-14)19(13-24)20(25)23-17-9-10-17/h1-8,11,17-19H,9-10,12-13H2,(H,23,25)

InChI Key

ZANUUZFWVVXOKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14260619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.354

Distribution Coefficient, logD

3.354

Water Solubility, LogSw

-3.84

Polar Surface Area

41.318

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

V004-0166 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V004-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-0166?
Check Price and Availability of V004-0166, 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 V004-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-0166
  • 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 V004-0166 available by request