S827-1234 Screening compound: 1-{4,4-difluoro-2-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-3-methoxypropan-1-one

S827-1234 Screening compound: 1-{4,4-difluoro-2-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-3-methoxypropan-1-one
S827-1234 Screening compound: 1-{4,4-difluoro-2-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-3-methoxypropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S827-1234
1-{4,4-difluoro-2-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-3-methoxypropan-1-one

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

S827-1234

Molecular Formula

C15H16F2N4O3 (C15 H16 F2 N4 O3)

Compound Name

1-{4,4-difluoro-2-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-3-methoxypropan-1-one

IUPAC name

1-[(2S)-44-difluoro-2-[3-(pyridin-4-yl)-124-oxadiazol-5-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one

SMILES

COCCC(N(CC(C1)(F)F)[C@@H]1c1nc(-c2ccncc2)no1)=O

InChI

InChI=1S/C15H16F2N4O3/c1-23-7-4-12(22)21-9-15(16,17)8-11(21)14-19-13(20-24-14)10-2-5-18-6-3-10/h2-3,5-6,11H,4,7-9H2,1H3/t11-/m1/s1

InChI Key

MYHJIWRDUNKRLH-LLVKDONJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.685

Distribution Coefficient, logD

1.685

Water Solubility, LogSw

-1.66

Polar Surface Area

65.801

Acid Dissociation Constant (pKa)

23.81

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.67

S827-1234 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 S827-1234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S827-1234?
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What is the minimum amount of S827-1234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S827-1234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S827-1234
  • 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 S827-1234 available by request