S827-2138 Screening compound: 5-[4,4-difluoro-1-(furan-2-carbonyl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole

S827-2138 Screening compound: 5-[4,4-difluoro-1-(furan-2-carbonyl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
S827-2138 Screening compound: 5-[4,4-difluoro-1-(furan-2-carbonyl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S827-2138
5-[4,4-difluoro-1-(furan-2-carbonyl)pyrrolidin-2-yl]-3-methyl-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

S827-2138

Molecular Formula

C12H11F2N3O3 (C12 H11 F2 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc([C@H](CC(C2)(F)F)N2C(c2ccco2)=O)n1

InChI

InChI=1S/C12H11F2N3O3/c1-7-15-10(20-16-7)8-5-12(13,14)6-17(8)11(18)9-3-2-4-19-9/h2-4,8H,5-6H2,1H3/t8-/m1/s1

InChI Key

UEFGLZRPADFCPV-MRVPVSSYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.553

Distribution Coefficient, logD

1.553

Water Solubility, LogSw

-1.83

Polar Surface Area

56.749

Acid Dissociation Constant (pKa)

26.51

Base Dissociation Constant (pKb)

-4.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

S827-2138 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S827-2138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S827-2138?
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What is the minimum amount of S827-2138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S827-2138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S827-2138
  • 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 S827-2138 available by request