V022-2187 Screening compound: 2-[1-(4-chloro-3-nitrophenyl)-N-pentylformamido]-N-[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]acetamide

V022-2187 Screening compound: 2-[1-(4-chloro-3-nitrophenyl)-N-pentylformamido]-N-[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]acetamide
V022-2187 Screening compound: 2-[1-(4-chloro-3-nitrophenyl)-N-pentylformamido]-N-[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-2187
2-[1-(4-chloro-3-nitrophenyl)-N-pentylformamido]-N-[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-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

V022-2187

Molecular Formula

C29H27ClFN5O4 (C29 H27 ClFN5 O4)

Compound Name

2-[1-(4-chloro-3-nitrophenyl)-N-pentylformamido]-N-[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]acetamide

IUPAC name

2-[1-(4-chloro-3-nitrophenyl)-N-pentylformamido]-N-[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]acetamide

SMILES

CCCCCN(CC(Nc1cc(-c2ccccc2)nn1-c(cc1)ccc1F)=O)C(c(cc1)cc([N+]([O-])=O)c1Cl)=O

InChI

InChI=1S/C29H27ClFN5O4/c1-2-3-7-16-34(29(38)21-10-15-24(30)26(17-21)36(39)40)19-28(37)32-27-18-25(20-8-5-4-6-9-20)33-35(27)23-13-11-22(31)12-14-23/h4-6,8-15,17-18H,2-3,7,16,19H2,1H3,(H,32,37)

InChI Key

UWKOGPIRNPTEFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19714243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.02

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.611

Distribution Coefficient, logD

6.611

Water Solubility, LogSw

-6.21

Polar Surface Area

86.821

Acid Dissociation Constant (pKa)

13.56

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

V022-2187 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V022-2187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-2187?
Check Price and Availability of V022-2187, 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 V022-2187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-2187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-2187
  • 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 V022-2187 available by request