V003-1076 Screening compound: 1-{[1-(3-chlorophenyl)-3-methyl-5-phenoxy-1H-pyrazol-4-yl]methyl}-1-(cyclopropylmethyl)-3-propylurea

V003-1076 Screening compound: 1-{[1-(3-chlorophenyl)-3-methyl-5-phenoxy-1H-pyrazol-4-yl]methyl}-1-(cyclopropylmethyl)-3-propylurea
V003-1076 Screening compound: 1-{[1-(3-chlorophenyl)-3-methyl-5-phenoxy-1H-pyrazol-4-yl]methyl}-1-(cyclopropylmethyl)-3-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-1076
1-{[1-(3-chlorophenyl)-3-methyl-5-phenoxy-1H-pyrazol-4-yl]methyl}-1-(cyclopropylmethyl)-3-propylurea

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

V003-1076

Molecular Formula

C25H29ClN4O2 (C25 H29 ClN4 O2)

Compound Name

1-{[1-(3-chlorophenyl)-3-methyl-5-phenoxy-1H-pyrazol-4-yl]methyl}-1-(cyclopropylmethyl)-3-propylurea

IUPAC name

1-{[1-(3-chlorophenyl)-3-methyl-5-phenoxy-1H-pyrazol-4-yl]methyl}-1-(cyclopropylmethyl)-3-propylurea

SMILES

CCCNC(N(CC1CC1)Cc(c(C)nn1-c2cccc(Cl)c2)c1Oc1ccccc1)=O

InChI

InChI=1S/C25H29ClN4O2/c1-3-14-27-25(31)29(16-19-12-13-19)17-23-18(2)28-30(21-9-7-8-20(26)15-21)24(23)32-22-10-5-4-6-11-22/h4-11,15,19H,3,12-14,16-17H2,1-2H3,(H,27,31)

InChI Key

GELGXPFUUZBTLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19808252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.98

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.057

Distribution Coefficient, logD

6.057

Water Solubility, LogSw

-5.97

Polar Surface Area

47.639

Acid Dissociation Constant (pKa)

17.34

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

V003-1076 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V003-1076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-1076?
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What is the minimum amount of V003-1076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-1076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-1076
  • 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 V003-1076 available by request