V013-9394 Screening compound: ethyl 5-(4-chlorophenyl)-1-[4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrazole-3-carboxylate

V013-9394 Screening compound: ethyl 5-(4-chlorophenyl)-1-[4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrazole-3-carboxylate
V013-9394 Screening compound: ethyl 5-(4-chlorophenyl)-1-[4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-9394
ethyl 5-(4-chlorophenyl)-1-[4-(pyrrolidine-1-carbonyl)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

V013-9394

Molecular Formula

C23H22ClN3O3 (C23 H22 ClN3 O3)

Compound Name

ethyl 5-(4-chlorophenyl)-1-[4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrazole-3-carboxylate

IUPAC name

ethyl 5-(4-chlorophenyl)-1-[4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyrazole-3-carboxylate

SMILES

CCOC(c(cc1-c(cc2)ccc2Cl)nn1-c(cc1)ccc1C(N1CCCC1)=O)=O

InChI

InChI=1S/C23H22ClN3O3/c1-2-30-23(29)20-15-21(16-5-9-18(24)10-6-16)27(25-20)19-11-7-17(8-12-19)22(28)26-13-3-4-14-26/h5-12,15H,2-4,13-14H2,1H3

InChI Key

VAFGGJQDFVHRSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19946693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.566

Distribution Coefficient, logD

4.566

Water Solubility, LogSw

-4.68

Polar Surface Area

50.829

Acid Dissociation Constant (pKa)

27.66

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

V013-9394 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Cardiovascular Library (22201 compounds)

GPCR Targeted Library (31838 compounds)

SH2 Library (10483 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Proteases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with V013-9394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-9394?
Check Price and Availability of V013-9394, 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 V013-9394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-9394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-9394
  • 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 V013-9394 available by request