V010-3329 Screening compound: N-[1-(4-bromophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-4-ethoxybenzamide

V010-3329 Screening compound: N-[1-(4-bromophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-4-ethoxybenzamide
V010-3329 Screening compound: N-[1-(4-bromophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-4-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-3329
N-[1-(4-bromophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-4-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

V010-3329

Molecular Formula

C22H24BrN3O2 (C22 H24 BrN3 O2)

Compound Name

N-[1-(4-bromophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-4-ethoxybenzamide

IUPAC name

N-[1-(4-bromophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-4-ethoxybenzamide

SMILES

CCOc(cc1)ccc1C(Nc1cc(C(C)(C)C)nn1-c(cc1)ccc1Br)=O

InChI

InChI=1S/C22H24BrN3O2/c1-5-28-18-12-6-15(7-13-18)21(27)24-20-14-19(22(2,3)4)25-26(20)17-10-8-16(23)9-11-17/h6-14H,5H2,1-4H3,(H,24,27)

InChI Key

YCUBVJXYEUKFPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.36

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

6.143

Distribution Coefficient, logD

6.141

Water Solubility, LogSw

-5.46

Polar Surface Area

44.888

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

V010-3329 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V010-3329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-3329?
Check Price and Availability of V010-3329, 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 V010-3329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-3329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-3329
  • 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 V010-3329 available by request