V018-0177 Screening compound: 3-tert-butyl-1-{[5-(3-fluorophenoxy)-1-phenyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-1-(2-methoxyethyl)urea

V018-0177 Screening compound: 3-tert-butyl-1-{[5-(3-fluorophenoxy)-1-phenyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-1-(2-methoxyethyl)urea
V018-0177 Screening compound: 3-tert-butyl-1-{[5-(3-fluorophenoxy)-1-phenyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-1-(2-methoxyethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-0177
3-tert-butyl-1-{[5-(3-fluorophenoxy)-1-phenyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-1-(2-methoxyethyl)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

V018-0177

Molecular Formula

C27H35FN4O3 (C27 H35 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(c(CN(CCOC)C(NC(C)(C)C)=O)c1Oc2cccc(F)c2)nn1-c1ccccc1

InChI

InChI=1S/C27H35FN4O3/c1-19(2)24-23(18-31(15-16-34-6)26(33)29-27(3,4)5)25(35-22-14-10-11-20(28)17-22)32(30-24)21-12-8-7-9-13-21/h7-14,17,19H,15-16,18H2,1-6H3,(H,29,33)

InChI Key

AILGSACNTHQCPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19804047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.6

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

6.098

Distribution Coefficient, logD

6.098

Water Solubility, LogSw

-5.51

Polar Surface Area

54.884

Acid Dissociation Constant (pKa)

16.89

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

References: we are preparing a list of scientific research reports with V018-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-0177?
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What is the minimum amount of V018-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-0177
  • 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 V018-0177 available by request