V002-6769 Screening compound: N-(3-CHLOROPHENETHYL)-3-[5-METHYL-3-(5-METHYL-1,3,4-OXADIAZOL-2-YL)-1H-PYRAZOL-1-YL]BENZAMIDE

V002-6769 Screening compound: N-(3-CHLOROPHENETHYL)-3-[5-METHYL-3-(5-METHYL-1,3,4-OXADIAZOL-2-YL)-1H-PYRAZOL-1-YL]BENZAMIDE
V002-6769 Screening compound: N-(3-CHLOROPHENETHYL)-3-[5-METHYL-3-(5-METHYL-1,3,4-OXADIAZOL-2-YL)-1H-PYRAZOL-1-YL]BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-6769
N-(3-CHLOROPHENETHYL)-3-[5-METHYL-3-(5-METHYL-1,3,4-OXADIAZOL-2-YL)-1H-PYRAZOL-1-YL]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

V002-6769

Molecular Formula

C22H20ClN5O2 (C22 H20 ClN5 O2)

Compound Name

N-(3-CHLOROPHENETHYL)-3-[5-METHYL-3-(5-METHYL-1,3,4-OXADIAZOL-2-YL)-1H-PYRAZOL-1-YL]BENZAMIDE

IUPAC name

N-[2-(3-chlorophenyl)ethyl]-3-[5-methyl-3-(5-methyl-134-oxadiazol-2-yl)-1H-pyrazol-1-yl]benzamide

SMILES

Cc1cc(-c2nnc(C)o2)nn1-c1cccc(C(NCCc2cccc(Cl)c2)=O)c1

InChI

InChI=1S/C22H20ClN5O2/c1-14-11-20(22-26-25-15(2)30-22)27-28(14)19-8-4-6-17(13-19)21(29)24-10-9-16-5-3-7-18(23)12-16/h3-8,11-13H,9-10H2,1-2H3,(H,24,29)

InChI Key

KEVJNMUBTDHULW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19948528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.173

Distribution Coefficient, logD

3.173

Water Solubility, LogSw

-3.63

Polar Surface Area

68.302

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

V002-6769 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 V002-6769 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-6769?
Check Price and Availability of V002-6769, 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 V002-6769 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-6769
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-6769
  • 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 V002-6769 available by request