V006-5312 Screening compound: N-{2-[5-(2-chlorophenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide

V006-5312 Screening compound: N-{2-[5-(2-chlorophenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide
V006-5312 Screening compound: N-{2-[5-(2-chlorophenyl)-3-(3-methoxyphenyl)-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 V006-5312
N-{2-[5-(2-chlorophenyl)-3-(3-methoxyphenyl)-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

V006-5312

Molecular Formula

C32H32ClF3N4O4 (C32 H32 ClF3 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(C(CC2c(cccc3)c3Cl)=NN2C(CN(CCN2CCOCC2)C(c2ccc(C(F)(F)F)cc2)=O)=O)c1

InChI

InChI=1S/C32H32ClF3N4O4/c1-43-25-6-4-5-23(19-25)28-20-29(26-7-2-3-8-27(26)33)40(37-28)30(41)21-39(14-13-38-15-17-44-18-16-38)31(42)22-9-11-24(12-10-22)32(34,35)36/h2-12,19,29H,13-18,20-21H2,1H3/t29-/m0/s1

InChI Key

IGGCFAHLHGCZAQ-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD19802242

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

629.08

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.296

Distribution Coefficient, logD

5.291

Water Solubility, LogSw

-5.97

Polar Surface Area

62.211

Acid Dissociation Constant (pKa)

19.12

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.40

V006-5312 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V006-5312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-5312?
Check Price and Availability of V006-5312, 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 V006-5312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-5312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-5312
  • 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 V006-5312 available by request