V014-9000 Screening compound: ethyl 5-(4-chlorophenyl)-1-{4-[(2-ethylbutyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate

V014-9000 Screening compound: ethyl 5-(4-chlorophenyl)-1-{4-[(2-ethylbutyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate
V014-9000 Screening compound: ethyl 5-(4-chlorophenyl)-1-{4-[(2-ethylbutyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-9000
ethyl 5-(4-chlorophenyl)-1-{4-[(2-ethylbutyl)carbamoyl]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

V014-9000

Molecular Formula

C25H28ClN3O3 (C25 H28 ClN3 O3)

Compound Name

ethyl 5-(4-chlorophenyl)-1-{4-[(2-ethylbutyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate

IUPAC name

ethyl 5-(4-chlorophenyl)-1-{4-[(2-ethylbutyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate

SMILES

CCC(CC)CNC(c(cc1)ccc1-n(c(-c(cc1)ccc1Cl)c1)nc1C(OCC)=O)=O

InChI

InChI=1S/C25H28ClN3O3/c1-4-17(5-2)16-27-24(30)19-9-13-21(14-10-19)29-23(18-7-11-20(26)12-8-18)15-22(28-29)25(31)32-6-3/h7-15,17H,4-6,16H2,1-3H3,(H,27,30)

InChI Key

YENOJKWWHLUXLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19944035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.211

Distribution Coefficient, logD

6.211

Water Solubility, LogSw

-6.29

Polar Surface Area

58.500

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

V014-9000 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • 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 V014-9000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-9000?
Check Price and Availability of V014-9000, 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 V014-9000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-9000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-9000
  • 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 V014-9000 available by request