V004-1991 Screening compound: 1-{[5-(2-fluorophenoxy)-1-phenyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-1-(2-methoxyethyl)-3-(propan-2-yl)urea

V004-1991 Screening compound: 1-{[5-(2-fluorophenoxy)-1-phenyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-1-(2-methoxyethyl)-3-(propan-2-yl)urea
V004-1991 Screening compound: 1-{[5-(2-fluorophenoxy)-1-phenyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-1-(2-methoxyethyl)-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-1991
1-{[5-(2-fluorophenoxy)-1-phenyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-1-(2-methoxyethyl)-3-(propan-2-yl)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

V004-1991

Molecular Formula

C26H33FN4O3 (C26 H33 FN4 O3)

Compound Name

1-{[5-(2-fluorophenoxy)-1-phenyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-1-(2-methoxyethyl)-3-(propan-2-yl)urea

IUPAC name

1-{[5-(2-fluorophenoxy)-1-phenyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-1-(2-methoxyethyl)-3-(propan-2-yl)urea

SMILES

CC(C)c(c(CN(CCOC)C(NC(C)C)=O)c1Oc(cccc2)c2F)nn1-c1ccccc1

InChI

InChI=1S/C26H33FN4O3/c1-18(2)24-21(17-30(15-16-33-5)26(32)28-19(3)4)25(34-23-14-10-9-13-22(23)27)31(29-24)20-11-7-6-8-12-20/h6-14,18-19H,15-17H2,1-5H3,(H,28,32)

InChI Key

KGUMMZCVNHGDBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19803890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.591

Distribution Coefficient, logD

5.591

Water Solubility, LogSw

-5.53

Polar Surface Area

55.121

Acid Dissociation Constant (pKa)

17.16

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with V004-1991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-1991?
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What is the minimum amount of V004-1991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-1991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-1991
  • 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 V004-1991 available by request