S827-4258 Screening compound: 5-(1-cyclopentanecarbonyl-4,4-difluoropyrrolidin-2-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide

S827-4258 Screening compound: 5-(1-cyclopentanecarbonyl-4,4-difluoropyrrolidin-2-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
S827-4258 Screening compound: 5-(1-cyclopentanecarbonyl-4,4-difluoropyrrolidin-2-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S827-4258
5-(1-cyclopentanecarbonyl-4,4-difluoropyrrolidin-2-yl)-N-methyl-1,2,4-oxadiazole-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

S827-4258

Molecular Formula

C14H18F2N4O3 (C14 H18 F2 N4 O3)

Compound Name

5-(1-cyclopentanecarbonyl-4,4-difluoropyrrolidin-2-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide

IUPAC name

5-[(2S)-1-cyclopentanecarbonyl-44-difluoropyrrolidin-2-yl]-N-methyl-124-oxadiazole-3-carboxamide

SMILES

CNC(c1noc([C@H](CC(C2)(F)F)N2C(C2CCCC2)=O)n1)=O

InChI

InChI=1S/C14H18F2N4O3/c1-17-11(21)10-18-12(23-19-10)9-6-14(15,16)7-20(9)13(22)8-4-2-3-5-8/h8-9H,2-7H2,1H3,(H,17,21)/t9-/m1/s1

InChI Key

PKZDVHXTIHBZPX-SECBINFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.734

Distribution Coefficient, logD

1.734

Water Solubility, LogSw

-2.06

Polar Surface Area

73.951

Acid Dissociation Constant (pKa)

14.55

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.43

S827-4258 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 S827-4258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S827-4258?
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What is the minimum amount of S827-4258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S827-4258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S827-4258
  • 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 S827-4258 available by request