V004-0968 Screening compound: N-(cyclopropylmethyl)-N-{[5-(4-fluorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}benzamide

V004-0968 Screening compound: N-(cyclopropylmethyl)-N-{[5-(4-fluorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}benzamide
V004-0968 Screening compound: N-(cyclopropylmethyl)-N-{[5-(4-fluorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-0968
N-(cyclopropylmethyl)-N-{[5-(4-fluorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}benzamide

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

V004-0968

Molecular Formula

C28H26FN3O2 (C28 H26 FN3 O2)

Compound Name

N-(cyclopropylmethyl)-N-{[5-(4-fluorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}benzamide

IUPAC name

N-(cyclopropylmethyl)-N-{[5-(4-fluorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}benzamide

SMILES

Cn(c(Oc(cc1)ccc1F)c1CN(CC2CC2)C(c2ccccc2)=O)nc1-c1ccccc1

InChI

InChI=1S/C28H26FN3O2/c1-31-28(34-24-16-14-23(29)15-17-24)25(26(30-31)21-8-4-2-5-9-21)19-32(18-20-12-13-20)27(33)22-10-6-3-7-11-22/h2-11,14-17,20H,12-13,18-19H2,1H3

InChI Key

XTGIPHOVXWQYOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19806754

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

455.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.190

Distribution Coefficient, logD

5.190

Water Solubility, LogSw

-5.13

Polar Surface Area

37.726

Acid Dissociation Constant (pKa)

22.84

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

V004-0968 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 V004-0968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-0968?
Check Price and Availability of V004-0968, 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 V004-0968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-0968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-0968
  • 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 V004-0968 available by request