S827-2858 Screening compound: 3-cyclopropyl-5-[4,4-difluoro-1-(furan-2-carbonyl)pyrrolidin-2-yl]-1,2,4-oxadiazole

S827-2858 Screening compound: 3-cyclopropyl-5-[4,4-difluoro-1-(furan-2-carbonyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
S827-2858 Screening compound: 3-cyclopropyl-5-[4,4-difluoro-1-(furan-2-carbonyl)pyrrolidin-2-yl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S827-2858
3-cyclopropyl-5-[4,4-difluoro-1-(furan-2-carbonyl)pyrrolidin-2-yl]-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

S827-2858

Molecular Formula

C14H13F2N3O3 (C14 H13 F2 N3 O3)

Compound Name

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

IUPAC name

3-cyclopropyl-5-[(2S)-44-difluoro-1-(furan-2-carbonyl)pyrrolidin-2-yl]-124-oxadiazole

SMILES

O=C(c1ccco1)N(CC(C1)(F)F)[C@@H]1c1nc(C2CC2)no1

InChI

InChI=1S/C14H13F2N3O3/c15-14(16)6-9(12-17-11(18-22-12)8-3-4-8)19(7-14)13(20)10-2-1-5-21-10/h1-2,5,8-9H,3-4,6-7H2/t9-/m1/s1

InChI Key

LMMYRWGMQQETCN-SECBINFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.580

Distribution Coefficient, logD

2.580

Water Solubility, LogSw

-2.74

Polar Surface Area

57.387

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

-3.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S827-2858 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S827-2858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S827-2858?
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What is the minimum amount of S827-2858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S827-2858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S827-2858
  • 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 S827-2858 available by request