V002-6133 Screening compound: 2-chloro-N-{2-[5-(4-chlorophenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylbenzamide

V002-6133 Screening compound: 2-chloro-N-{2-[5-(4-chlorophenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylbenzamide
V002-6133 Screening compound: 2-chloro-N-{2-[5-(4-chlorophenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-6133
2-chloro-N-{2-[5-(4-chlorophenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylbenzamide

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

V002-6133

Molecular Formula

C26H23Cl2N3O3 (C26 H23 Cl2 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CN(CC(N(C(C1)c(cc2)ccc2Cl)N=C1c1cc(OC)ccc1)=O)C(c(cccc1)c1Cl)=O

InChI

InChI=1S/C26H23Cl2N3O3/c1-30(26(33)21-8-3-4-9-22(21)28)16-25(32)31-24(17-10-12-19(27)13-11-17)15-23(29-31)18-6-5-7-20(14-18)34-2/h3-14,24H,15-16H2,1-2H3/t24-/m0/s1

InChI Key

HRHLNXAKNIVSEG-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19801977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.144

Distribution Coefficient, logD

5.144

Water Solubility, LogSw

-5.45

Polar Surface Area

50.553

Acid Dissociation Constant (pKa)

18.65

Base Dissociation Constant (pKb)

-4.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

V002-6133 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V002-6133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-6133?
Check Price and Availability of V002-6133, 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 V002-6133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-6133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-6133
  • 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 V002-6133 available by request