V002-9962 Screening compound: N-{2-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]propanamide

V002-9962 Screening compound: N-{2-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]propanamide
V002-9962 Screening compound: N-{2-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-9962
N-{2-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]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

V002-9962

Molecular Formula

C27H33ClN4O4 (C27 H33 ClN4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCC(N(CCN1CCOCC1)CC(N(C(C1)c(cc2)ccc2Cl)N=C1c(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C27H33ClN4O4/c1-3-26(33)31(13-12-30-14-16-36-17-15-30)19-27(34)32-25(21-4-8-22(28)9-5-21)18-24(29-32)20-6-10-23(35-2)11-7-20/h4-11,25H,3,12-19H2,1-2H3/t25-/m0/s1

InChI Key

XGKKGLFXKQXZOG-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19803415

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

513.04

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.653

Distribution Coefficient, logD

3.627

Water Solubility, LogSw

-4.34

Polar Surface Area

61.956

Acid Dissociation Constant (pKa)

18.65

Base Dissociation Constant (pKb)

6.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

V002-9962 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V002-9962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-9962?
Check Price and Availability of V002-9962, 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 V002-9962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-9962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-9962
  • 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 V002-9962 available by request