V014-4641 Screening compound: N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-2-ethoxybenzamide

V014-4641 Screening compound: N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-2-ethoxybenzamide
V014-4641 Screening compound: N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-2-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-4641
N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-2-ethoxybenzamide

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

V014-4641

Molecular Formula

C22H23Cl2N3O2 (C22 H23 Cl2 N3 O2)

Compound Name

N-[3-tert-butyl-1-(2,5-dichlorophenyl)-1H-pyrazol-5-yl]-2-ethoxybenzamide

IUPAC name

N-[3-tert-butyl-1-(25-dichlorophenyl)-1H-pyrazol-5-yl]-2-ethoxybenzamide

SMILES

CCOc(cccc1)c1C(Nc1cc(C(C)(C)C)nn1-c(cc(cc1)Cl)c1Cl)=O

InChI

InChI=1S/C22H23Cl2N3O2/c1-5-29-18-9-7-6-8-15(18)21(28)25-20-13-19(22(2,3)4)26-27(20)17-12-14(23)10-11-16(17)24/h6-13H,5H2,1-4H3,(H,25,28)

InChI Key

WWAGLQHEWHESOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.267

Distribution Coefficient, logD

5.183

Water Solubility, LogSw

-5.98

Polar Surface Area

44.674

Acid Dissociation Constant (pKa)

6.35

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

V014-4641 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V014-4641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-4641?
Check Price and Availability of V014-4641, 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 V014-4641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-4641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-4641
  • 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 V014-4641 available by request