S399-0638 Screening compound: 3-(1H-1,3-benzodiazol-2-yl)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide

S399-0638 Screening compound: 3-(1H-1,3-benzodiazol-2-yl)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
S399-0638 Screening compound: 3-(1H-1,3-benzodiazol-2-yl)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-0638
3-(1H-1,3-benzodiazol-2-yl)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-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

S399-0638

Molecular Formula

C17H19N5O2 (C17 H19 N5 O2)

Compound Name

3-(1H-1,3-benzodiazol-2-yl)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide

IUPAC name

3-(1H-13-benzodiazol-2-yl)-N-[2-(5-cyclopropyl-124-oxadiazol-3-yl)ethyl]propanamide

SMILES

O=C(CCc1nc(cccc2)c2[nH]1)NCCc1noc(C2CC2)n1

InChI

InChI=1S/C17H19N5O2/c23-16(8-7-14-19-12-3-1-2-4-13(12)20-14)18-10-9-15-21-17(24-22-15)11-5-6-11/h1-4,11H,5-10H2,(H,18,23)(H,19,20)

InChI Key

NXPCFIYRCDZVBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29008481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.939

Distribution Coefficient, logD

1.926

Water Solubility, LogSw

-2.27

Polar Surface Area

77.752

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

S399-0638 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S399-0638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-0638?
Check Price and Availability of S399-0638, 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 S399-0638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-0638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-0638
  • 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 S399-0638 available by request