V004-0996 Screening compound: 1-{[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-1-(cyclopropylmethyl)-3-ethylurea

V004-0996 Screening compound: 1-{[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-1-(cyclopropylmethyl)-3-ethylurea
V004-0996 Screening compound: 1-{[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-1-(cyclopropylmethyl)-3-ethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-0996
1-{[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-1-(cyclopropylmethyl)-3-ethylurea

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

V004-0996

Molecular Formula

C25H29ClN4O3 (C25 H29 ClN4 O3)

Compound Name

1-{[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-1-(cyclopropylmethyl)-3-ethylurea

IUPAC name

1-{[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-1-(cyclopropylmethyl)-3-ethylurea

SMILES

CCNC(N(CC1CC1)Cc(c(C)nn1-c(cc2)ccc2Cl)c1Oc(cccc1)c1OC)=O

InChI

InChI=1S/C25H29ClN4O3/c1-4-27-25(31)29(15-18-9-10-18)16-21-17(2)28-30(20-13-11-19(26)12-14-20)24(21)33-23-8-6-5-7-22(23)32-3/h5-8,11-14,18H,4,9-10,15-16H2,1-3H3,(H,27,31)

InChI Key

QCMOBFJIIWADLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19813853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.228

Distribution Coefficient, logD

5.228

Water Solubility, LogSw

-5.66

Polar Surface Area

55.140

Acid Dissociation Constant (pKa)

16.94

Base Dissociation Constant (pKb)

6.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with V004-0996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-0996?
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What is the minimum amount of V004-0996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-0996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-0996
  • 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 V004-0996 available by request