V002-9911 Screening compound: ethyl 1-(2-chlorophenyl)-5-{4-[4-(4-cyanobenzoyl)piperazin-1-yl]phenyl}-1H-pyrazole-3-carboxylate

V002-9911 Screening compound: ethyl 1-(2-chlorophenyl)-5-{4-[4-(4-cyanobenzoyl)piperazin-1-yl]phenyl}-1H-pyrazole-3-carboxylate
V002-9911 Screening compound: ethyl 1-(2-chlorophenyl)-5-{4-[4-(4-cyanobenzoyl)piperazin-1-yl]phenyl}-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-9911
ethyl 1-(2-chlorophenyl)-5-{4-[4-(4-cyanobenzoyl)piperazin-1-yl]phenyl}-1H-pyrazole-3-carboxylate

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

V002-9911

Molecular Formula

C30H26ClN5O3 (C30 H26 ClN5 O3)

Compound Name

ethyl 1-(2-chlorophenyl)-5-{4-[4-(4-cyanobenzoyl)piperazin-1-yl]phenyl}-1H-pyrazole-3-carboxylate

IUPAC name

ethyl 1-(2-chlorophenyl)-5-{4-[4-(4-cyanobenzoyl)piperazin-1-yl]phenyl}-1H-pyrazole-3-carboxylate

SMILES

CCOC(c(cc1-c(cc2)ccc2N(CC2)CCN2C(c(cc2)ccc2C#N)=O)nn1-c(cccc1)c1Cl)=O

InChI

InChI=1S/C30H26ClN5O3/c1-2-39-30(38)26-19-28(36(33-26)27-6-4-3-5-25(27)31)22-11-13-24(14-12-22)34-15-17-35(18-16-34)29(37)23-9-7-21(20-32)8-10-23/h3-14,19H,2,15-18H2,1H3

InChI Key

LXALJIIVDVOSNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947825

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

540.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.086

Distribution Coefficient, logD

5.086

Water Solubility, LogSw

-5.54

Polar Surface Area

70.479

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V002-9911 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with V002-9911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-9911?
Check Price and Availability of V002-9911, 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 V002-9911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-9911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-9911
  • 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 V002-9911 available by request