D679-0629 Screening compound: N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,4-dimethylbenzamide

D679-0629 Screening compound: N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,4-dimethylbenzamide
D679-0629 Screening compound: N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,4-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D679-0629
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,4-dimethylbenzamide

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

D679-0629

Molecular Formula

C17H21N3O2 (C17 H21 N3 O2)

Compound Name

N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,4-dimethylbenzamide

IUPAC name

N-[(5-cyclopentyl-124-oxadiazol-3-yl)methyl]-24-dimethylbenzamide

SMILES

Cc(cc1)cc(C)c1C(NCc1noc(C2CCCC2)n1)=O

InChI

InChI=1S/C17H21N3O2/c1-11-7-8-14(12(2)9-11)16(21)18-10-15-19-17(22-20-15)13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3,(H,18,21)

InChI Key

LFOKNBVRNOAJGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.270

Distribution Coefficient, logD

4.270

Water Solubility, LogSw

-4.20

Polar Surface Area

57.878

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

D679-0629 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D679-0629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D679-0629?
Check Price and Availability of D679-0629, 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 D679-0629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D679-0629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D679-0629
  • 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 D679-0629 available by request