S827-4240 Screening compound: 5-[1-(cyclopent-3-ene-1-carbonyl)-4,4-difluoropyrrolidin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

S827-4240 Screening compound: 5-[1-(cyclopent-3-ene-1-carbonyl)-4,4-difluoropyrrolidin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
S827-4240 Screening compound: 5-[1-(cyclopent-3-ene-1-carbonyl)-4,4-difluoropyrrolidin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S827-4240
5-[1-(cyclopent-3-ene-1-carbonyl)-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

S827-4240

Molecular Formula

C14H16F2N4O3 (C14 H16 F2 N4 O3)

Compound Name

5-[1-(cyclopent-3-ene-1-carbonyl)-4,4-difluoropyrrolidin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

IUPAC name

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

SMILES

CNC(c1noc([C@H](CC(C2)(F)F)N2C(C2CC=CC2)=O)n1)=O

InChI

InChI=1S/C14H16F2N4O3/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/h2-3,8-9H,4-7H2,1H3,(H,17,21)/t9-/m1/s1

InChI Key

XQNYXCXEIXWHAE-SECBINFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.3

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

1.407

Distribution Coefficient, logD

1.407

Water Solubility, LogSw

-1.65

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

57.14

S827-4240 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S827-4240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S827-4240?
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What is the minimum amount of S827-4240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S827-4240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S827-4240
  • 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 S827-4240 available by request