S827-2544 Screening compound: 4-{4,4-difluoro-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}benzonitrile

S827-2544 Screening compound: 4-{4,4-difluoro-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}benzonitrile
S827-2544 Screening compound: 4-{4,4-difluoro-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S827-2544
4-{4,4-difluoro-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}benzonitrile

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

S827-2544

Molecular Formula

C16H14F2N4O3 (C16 H14 F2 N4 O3)

Compound Name

4-{4,4-difluoro-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}benzonitrile

IUPAC name

4-[(2S)-44-difluoro-2-[3-(methoxymethyl)-124-oxadiazol-5-yl]pyrrolidine-1-carbonyl]benzonitrile

SMILES

COCc1noc([C@H](CC(C2)(F)F)N2C(c(cc2)ccc2C#N)=O)n1

InChI

InChI=1S/C16H14F2N4O3/c1-24-8-13-20-14(25-21-13)12-6-16(17,18)9-22(12)15(23)11-4-2-10(7-19)3-5-11/h2-5,12H,6,8-9H2,1H3/t12-/m1/s1

InChI Key

SIUDOZRWYCKLKM-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.31

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

1.843

Distribution Coefficient, logD

1.843

Water Solubility, LogSw

-2.16

Polar Surface Area

75.028

Acid Dissociation Constant (pKa)

25.68

Base Dissociation Constant (pKb)

-5.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

S827-2544 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S827-2544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S827-2544?
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What is the minimum amount of S827-2544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S827-2544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S827-2544
  • 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 S827-2544 available by request