S827-4090 Screening compound: 5-[4,4-difluoro-1-(1,3-oxazole-5-carbonyl)pyrrolidin-2-yl]-3-ethyl-1,2,4-oxadiazole

S827-4090 Screening compound: 5-[4,4-difluoro-1-(1,3-oxazole-5-carbonyl)pyrrolidin-2-yl]-3-ethyl-1,2,4-oxadiazole
S827-4090 Screening compound: 5-[4,4-difluoro-1-(1,3-oxazole-5-carbonyl)pyrrolidin-2-yl]-3-ethyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S827-4090
5-[4,4-difluoro-1-(1,3-oxazole-5-carbonyl)pyrrolidin-2-yl]-3-ethyl-1,2,4-oxadiazole

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

S827-4090

Molecular Formula

C12H12F2N4O3 (C12 H12 F2 N4 O3)

Compound Name

5-[4,4-difluoro-1-(1,3-oxazole-5-carbonyl)pyrrolidin-2-yl]-3-ethyl-1,2,4-oxadiazole

IUPAC name

5-[(2S)-44-difluoro-1-(13-oxazole-5-carbonyl)pyrrolidin-2-yl]-3-ethyl-124-oxadiazole

SMILES

CCc1noc([C@H](CC(C2)(F)F)N2C(c2cnco2)=O)n1

InChI

InChI=1S/C12H12F2N4O3/c1-2-9-16-10(21-17-9)7-3-12(13,14)5-18(7)11(19)8-4-15-6-20-8/h4,6-7H,2-3,5H2,1H3/t7-/m1/s1

InChI Key

GLLRUPAEJWSFBB-SSDOTTSWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.316

Distribution Coefficient, logD

1.316

Water Solubility, LogSw

-1.17

Polar Surface Area

68.122

Acid Dissociation Constant (pKa)

25.57

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S827-4090 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S827-4090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S827-4090?
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What is the minimum amount of S827-4090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S827-4090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S827-4090
  • 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 S827-4090 available by request