S399-2087 Screening compound: N-[2-(5-CYCLOPROPYL-1,2,4-OXADIAZOL-3-YL)ETHYL]-5-(1-ETHYL-3,5-DIMETHYL-1H-PYRAZOL-4-YL)-1,2-OXAZOLE-3-CARBOXAMIDE

S399-2087 Screening compound: N-[2-(5-CYCLOPROPYL-1,2,4-OXADIAZOL-3-YL)ETHYL]-5-(1-ETHYL-3,5-DIMETHYL-1H-PYRAZOL-4-YL)-1,2-OXAZOLE-3-CARBOXAMIDE
S399-2087 Screening compound: N-[2-(5-CYCLOPROPYL-1,2,4-OXADIAZOL-3-YL)ETHYL]-5-(1-ETHYL-3,5-DIMETHYL-1H-PYRAZOL-4-YL)-1,2-OXAZOLE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-2087
N-[2-(5-CYCLOPROPYL-1,2,4-OXADIAZOL-3-YL)ETHYL]-5-(1-ETHYL-3,5-DIMETHYL-1H-PYRAZOL-4-YL)-1,2-OXAZOLE-3-CARBOXAMIDE

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

S399-2087

Molecular Formula

C18H22N6O3 (C18 H22 N6 O3)

Compound Name

N-[2-(5-CYCLOPROPYL-1,2,4-OXADIAZOL-3-YL)ETHYL]-5-(1-ETHYL-3,5-DIMETHYL-1H-PYRAZOL-4-YL)-1,2-OXAZOLE-3-CARBOXAMIDE

IUPAC name

N-[2-(5-cyclopropyl-124-oxadiazol-3-yl)ethyl]-5-(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)-12-oxazole-3-carboxamide

SMILES

CCn1nc(C)c(-c2cc(C(NCCc3noc(C4CC4)n3)=O)no2)c1C

InChI

InChI=1S/C18H22N6O3/c1-4-24-11(3)16(10(2)21-24)14-9-13(22-26-14)17(25)19-8-7-15-20-18(27-23-15)12-5-6-12/h9,12H,4-8H2,1-3H3,(H,19,25)

InChI Key

LAXHZBAVTDXNBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29014317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.744

Distribution Coefficient, logD

1.744

Water Solubility, LogSw

-2.08

Polar Surface Area

93.498

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S399-2087 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S399-2087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-2087?
Check Price and Availability of S399-2087, 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 S399-2087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-2087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-2087
  • 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 S399-2087 available by request