D679-1045 Screening compound: N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide

D679-1045 Screening compound: N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide
D679-1045 Screening compound: N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D679-1045
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(5-cyclopropyl-1,2,4-oxadiazol-3-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

D679-1045

Molecular Formula

C20H21N5O3 (C20 H21 N5 O3)

Compound Name

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

IUPAC name

N-[(5-cyclopentyl-124-oxadiazol-3-yl)methyl]-4-(5-cyclopropyl-124-oxadiazol-3-yl)benzamide

SMILES

O=C(c(cc1)ccc1-c1noc(C2CC2)n1)NCc1noc(C2CCCC2)n1

InChI

InChI=1S/C20H21N5O3/c26-18(21-11-16-22-19(27-24-16)14-3-1-2-4-14)13-7-5-12(6-8-13)17-23-20(28-25-17)15-9-10-15/h5-8,14-15H,1-4,9-11H2,(H,21,26)

InChI Key

NVMYJMFUTCVCEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.562

Distribution Coefficient, logD

4.562

Water Solubility, LogSw

-4.52

Polar Surface Area

89.807

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

D679-1045 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D679-1045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D679-1045?
Check Price and Availability of D679-1045, 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 D679-1045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D679-1045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D679-1045
  • 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 D679-1045 available by request