V013-4650 Screening compound: N-{2-[3-(2-fluorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide

V013-4650 Screening compound: N-{2-[3-(2-fluorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide
V013-4650 Screening compound: N-{2-[3-(2-fluorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-4650
N-{2-[3-(2-fluorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)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

V013-4650

Molecular Formula

C31H29F5N4O3 (C31 H29 F5 N4 O3)

Compound Name

N-{2-[3-(2-fluorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide

IUPAC name

N-{2-[3-(2-fluorophenyl)-5-(4-fluorophenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide

SMILES

O=C(CN(CCN1CCOCC1)C(c1ccc(C(F)(F)F)cc1)=O)N(C(C1)c(cc2)ccc2F)N=C1c(cccc1)c1F

InChI

InChI=1S/C31H29F5N4O3/c32-24-11-7-21(8-12-24)28-19-27(25-3-1-2-4-26(25)33)37-40(28)29(41)20-39(14-13-38-15-17-43-18-16-38)30(42)22-5-9-23(10-6-22)31(34,35)36/h1-12,28H,13-20H2/t28-/m1/s1

InChI Key

OOTWUIJASDNNBS-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD19800816

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

600.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.599

Distribution Coefficient, logD

4.595

Water Solubility, LogSw

-4.52

Polar Surface Area

54.668

Acid Dissociation Constant (pKa)

18.27

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.30

V013-4650 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Anticancer Library (62698 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V013-4650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-4650?
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What is the minimum amount of V013-4650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-4650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-4650
  • 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 V013-4650 available by request