S827-2595 Screening compound: 1-{4,4-difluoro-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-3-methoxypropan-1-one

S827-2595 Screening compound: 1-{4,4-difluoro-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-3-methoxypropan-1-one
S827-2595 Screening compound: 1-{4,4-difluoro-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-3-methoxypropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S827-2595
1-{4,4-difluoro-2-[3-(methoxymethyl)-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

S827-2595

Molecular Formula

C12H17F2N3O4 (C12 H17 F2 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C12H17F2N3O4/c1-19-4-3-10(18)17-7-12(13,14)5-8(17)11-15-9(6-20-2)16-21-11/h8H,3-7H2,1-2H3/t8-/m1/s1

InChI Key

PBEFNGWRDSRBPE-MRVPVSSYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.590

Distribution Coefficient, logD

0.590

Water Solubility, LogSw

-0.60

Polar Surface Area

66.058

Acid Dissociation Constant (pKa)

23.81

Base Dissociation Constant (pKb)

-5.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

S827-2595 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 S827-2595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S827-2595?
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What is the minimum amount of S827-2595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S827-2595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S827-2595
  • 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 S827-2595 available by request