V016-6751 Screening compound: 1-(4-bromo-2-fluorophenyl)-2-oxo-N-(1-phenylethyl)-3-pyrrolidinecarboxamide

V016-6751 Screening compound: 1-(4-bromo-2-fluorophenyl)-2-oxo-N-(1-phenylethyl)-3-pyrrolidinecarboxamide
V016-6751 Screening compound: 1-(4-bromo-2-fluorophenyl)-2-oxo-N-(1-phenylethyl)-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-6751
1-(4-bromo-2-fluorophenyl)-2-oxo-N-(1-phenylethyl)-3-pyrrolidinecarboxamide

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

V016-6751

Molecular Formula

C19H18BrFN2O2 (C19 H18 BrFN2 O2)

Compound Name

1-(4-bromo-2-fluorophenyl)-2-oxo-N-(1-phenylethyl)-3-pyrrolidinecarboxamide

IUPAC name

1-(4-bromo-2-fluorophenyl)-2-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide

SMILES

CC(c1ccccc1)NC(C(CCN1c(ccc(Br)c2)c2F)C1=O)=O

InChI

InChI=1S/C19H18BrFN2O2/c1-12(13-5-3-2-4-6-13)22-18(24)15-9-10-23(19(15)25)17-8-7-14(20)11-16(17)21/h2-8,11-12,15H,9-10H2,1H3,(H,22,24)

InChI Key

AJRGTXLJFMAYGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19906258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.370

Distribution Coefficient, logD

1.107

Water Solubility, LogSw

-3.77

Polar Surface Area

40.053

Acid Dissociation Constant (pKa)

5.14

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.32

V016-6751 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V016-6751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-6751?
Check Price and Availability of V016-6751, 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 V016-6751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-6751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-6751
  • 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 V016-6751 available by request