V003-0564 Screening compound: N-butyl-N-({[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]carbamoyl}methyl)-2-phenoxyacetamide

V003-0564 Screening compound: N-butyl-N-({[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]carbamoyl}methyl)-2-phenoxyacetamide
V003-0564 Screening compound: N-butyl-N-({[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]carbamoyl}methyl)-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-0564
N-butyl-N-({[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]carbamoyl}methyl)-2-phenoxyacetamide

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

V003-0564

Molecular Formula

C29H29FN4O3 (C29 H29 FN4 O3)

Compound Name

N-butyl-N-({[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]carbamoyl}methyl)-2-phenoxyacetamide

IUPAC name

N-butyl-N-({[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]carbamoyl}methyl)-2-phenoxyacetamide

SMILES

CCCCN(CC(Nc1cc(-c2ccccc2)nn1-c(cc1)ccc1F)=O)C(COc1ccccc1)=O

InChI

InChI=1S/C29H29FN4O3/c1-2-3-18-33(29(36)21-37-25-12-8-5-9-13-25)20-28(35)31-27-19-26(22-10-6-4-7-11-22)32-34(27)24-16-14-23(30)15-17-24/h4-17,19H,2-3,18,20-21H2,1H3,(H,31,35)

InChI Key

MRAIYGMHOAHUNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19715917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.673

Distribution Coefficient, logD

5.673

Water Solubility, LogSw

-5.30

Polar Surface Area

60.712

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

V003-0564 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V003-0564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-0564?
Check Price and Availability of V003-0564, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V003-0564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-0564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-0564
  • 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 V003-0564 available by request