V009-9639 Screening compound: 2-[N-butyl-1-(2-chlorophenyl)formamido]-N-[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]acetamide

V009-9639 Screening compound: 2-[N-butyl-1-(2-chlorophenyl)formamido]-N-[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]acetamide
V009-9639 Screening compound: 2-[N-butyl-1-(2-chlorophenyl)formamido]-N-[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-9639
2-[N-butyl-1-(2-chlorophenyl)formamido]-N-[3-methyl-1-(4-methylphenyl)-4-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

V009-9639

Molecular Formula

C30H31ClN4O2 (C30 H31 ClN4 O2)

Compound Name

2-[N-butyl-1-(2-chlorophenyl)formamido]-N-[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]acetamide

IUPAC name

2-[N-butyl-1-(2-chlorophenyl)formamido]-N-[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]acetamide

SMILES

CCCCN(CC(Nc(n(-c1ccc(C)cc1)nc1C)c1-c1ccccc1)=O)C(c(cccc1)c1Cl)=O

InChI

InChI=1S/C30H31ClN4O2/c1-4-5-19-34(30(37)25-13-9-10-14-26(25)31)20-27(36)32-29-28(23-11-7-6-8-12-23)22(3)33-35(29)24-17-15-21(2)16-18-24/h6-18H,4-5,19-20H2,1-3H3,(H,32,36)

InChI Key

ATCOUMGTHRYSAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19715246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.05

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.096

Distribution Coefficient, logD

6.096

Water Solubility, LogSw

-5.95

Polar Surface Area

53.396

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

V009-9639 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 V009-9639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-9639?
Check Price and Availability of V009-9639, 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 V009-9639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-9639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-9639
  • 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 V009-9639 available by request