V013-4489 Screening compound: N'-[(4-fluorophenyl)methyl]-N-[1-(3-methylphenyl)-3-phenyl-1H-pyrazol-5-yl]butanediamide

V013-4489 Screening compound: N'-[(4-fluorophenyl)methyl]-N-[1-(3-methylphenyl)-3-phenyl-1H-pyrazol-5-yl]butanediamide
V013-4489 Screening compound: N'-[(4-fluorophenyl)methyl]-N-[1-(3-methylphenyl)-3-phenyl-1H-pyrazol-5-yl]butanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-4489
N'-[(4-fluorophenyl)methyl]-N-[1-(3-methylphenyl)-3-phenyl-1H-pyrazol-5-yl]butanediamide

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

V013-4489

Molecular Formula

C27H25FN4O2 (C27 H25 FN4 O2)

Compound Name

N'-[(4-fluorophenyl)methyl]-N-[1-(3-methylphenyl)-3-phenyl-1H-pyrazol-5-yl]butanediamide

IUPAC name

N'-[(4-fluorophenyl)methyl]-N-[1-(3-methylphenyl)-3-phenyl-1H-pyrazol-5-yl]butanediamide

SMILES

Cc1cccc(-n(c(NC(CCC(NCc(cc2)ccc2F)=O)=O)c2)nc2-c2ccccc2)c1

InChI

InChI=1S/C27H25FN4O2/c1-19-6-5-9-23(16-19)32-25(17-24(31-32)21-7-3-2-4-8-21)30-27(34)15-14-26(33)29-18-20-10-12-22(28)13-11-20/h2-13,16-17H,14-15,18H2,1H3,(H,29,33)(H,30,34)

InChI Key

PLUDPVOMNCWSQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10461317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.591

Distribution Coefficient, logD

4.591

Water Solubility, LogSw

-4.38

Polar Surface Area

61.751

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with V013-4489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-4489?
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What is the minimum amount of V013-4489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-4489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-4489
  • 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 V013-4489 available by request