V004-0961 Screening compound: 3-tert-butyl-1-{[5-(2-chlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-1-(cyclopropylmethyl)urea

V004-0961 Screening compound: 3-tert-butyl-1-{[5-(2-chlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-1-(cyclopropylmethyl)urea
V004-0961 Screening compound: 3-tert-butyl-1-{[5-(2-chlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-1-(cyclopropylmethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-0961
3-tert-butyl-1-{[5-(2-chlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-1-(cyclopropylmethyl)urea

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

V004-0961

Molecular Formula

C26H31ClN4O2 (C26 H31 ClN4 O2)

Compound Name

3-tert-butyl-1-{[5-(2-chlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-1-(cyclopropylmethyl)urea

IUPAC name

3-tert-butyl-1-{[5-(2-chlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-1-(cyclopropylmethyl)urea

SMILES

CC(C)(C)NC(N(CC1CC1)Cc(c(C)nn1-c2ccccc2)c1Oc(cccc1)c1Cl)=O

InChI

InChI=1S/C26H31ClN4O2/c1-18-21(17-30(16-19-14-15-19)25(32)28-26(2,3)4)24(33-23-13-9-8-12-22(23)27)31(29-18)20-10-6-5-7-11-20/h5-13,19H,14-17H2,1-4H3,(H,28,32)

InChI Key

AMSQVURQXVCDJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19804195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.01

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.971

Distribution Coefficient, logD

5.971

Water Solubility, LogSw

-5.97

Polar Surface Area

46.708

Acid Dissociation Constant (pKa)

16.89

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with V004-0961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-0961?
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What is the minimum amount of V004-0961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-0961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-0961
  • 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 V004-0961 available by request