V029-6985 Screening compound: 1-(cyclopropylmethyl)-1-{[5-(2,4-difluorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-3-propylurea

V029-6985 Screening compound: 1-(cyclopropylmethyl)-1-{[5-(2,4-difluorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-3-propylurea
V029-6985 Screening compound: 1-(cyclopropylmethyl)-1-{[5-(2,4-difluorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-3-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-6985
1-(cyclopropylmethyl)-1-{[5-(2,4-difluorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-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

V029-6985

Molecular Formula

C25H28F2N4O2 (C25 H28 F2 N4 O2)

Compound Name

1-(cyclopropylmethyl)-1-{[5-(2,4-difluorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-3-propylurea

IUPAC name

1-(cyclopropylmethyl)-1-{[5-(24-difluorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-3-propylurea

SMILES

CCCNC(N(CC1CC1)Cc(c(C)nn1-c2ccccc2)c1Oc(ccc(F)c1)c1F)=O

InChI

InChI=1S/C25H28F2N4O2/c1-3-13-28-25(32)30(15-18-9-10-18)16-21-17(2)29-31(20-7-5-4-6-8-20)24(21)33-23-12-11-19(26)14-22(23)27/h4-8,11-12,14,18H,3,9-10,13,15-16H2,1-2H3,(H,28,32)

InChI Key

RKFJAPJIRCEQKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19803857

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

454.52

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

5.320

Distribution Coefficient, logD

5.320

Water Solubility, LogSw

-5.34

Polar Surface Area

47.725

Acid Dissociation Constant (pKa)

17.34

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

V029-6985 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V029-6985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-6985?
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What is the minimum amount of V029-6985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-6985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-6985
  • 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 V029-6985 available by request