V014-3130 Screening compound: N-{2-[5-(4-chlorophenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)propanamide

V014-3130 Screening compound: N-{2-[5-(4-chlorophenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)propanamide
V014-3130 Screening compound: N-{2-[5-(4-chlorophenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-3130
N-{2-[5-(4-chlorophenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)propanamide

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

V014-3130

Molecular Formula

C23H25ClFN3O3 (C23 H25 ClFN3 O3)

Compound Name

N-{2-[5-(4-chlorophenyl)-3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)propanamide

IUPAC name

N-{2-[5-(4-chlorophenyl)-3-(2-fluorophenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-(2-methoxyethyl)propanamide

SMILES

CCC(N(CCOC)CC(N(C(C1)c(cc2)ccc2Cl)N=C1c(cccc1)c1F)=O)=O

InChI

InChI=1S/C23H25ClFN3O3/c1-3-22(29)27(12-13-31-2)15-23(30)28-21(16-8-10-17(24)11-9-16)14-20(26-28)18-6-4-5-7-19(18)25/h4-11,21H,3,12-15H2,1-2H3/t21-/m0/s1

InChI Key

NKFGKUWSFWOJGT-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19798335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.942

Distribution Coefficient, logD

3.942

Water Solubility, LogSw

-4.64

Polar Surface Area

51.135

Acid Dissociation Constant (pKa)

18.27

Base Dissociation Constant (pKb)

-5.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

V014-3130 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V014-3130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-3130?
Check Price and Availability of V014-3130, 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 V014-3130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-3130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-3130
  • 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 V014-3130 available by request