S828-3094 Screening compound: 2-[4,4-difluoro-1-(2-methylfuran-3-carbonyl)pyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole

S828-3094 Screening compound: 2-[4,4-difluoro-1-(2-methylfuran-3-carbonyl)pyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole
S828-3094 Screening compound: 2-[4,4-difluoro-1-(2-methylfuran-3-carbonyl)pyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S828-3094
2-[4,4-difluoro-1-(2-methylfuran-3-carbonyl)pyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole

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

S828-3094

Molecular Formula

C13H13F2N3O3 (C13 H13 F2 N3 O3)

Compound Name

2-[4,4-difluoro-1-(2-methylfuran-3-carbonyl)pyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole

IUPAC name

2-[(2S)-44-difluoro-1-(2-methylfuran-3-carbonyl)pyrrolidin-2-yl]-5-methyl-134-oxadiazole

SMILES

Cc(occ1)c1C(N(CC(C1)(F)F)[C@@H]1c1nnc(C)o1)=O

InChI

InChI=1S/C13H13F2N3O3/c1-7-9(3-4-20-7)12(19)18-6-13(14,15)5-10(18)11-17-16-8(2)21-11/h3-4,10H,5-6H2,1-2H3/t10-/m1/s1

InChI Key

FFXREKVIYJRXFY-SNVBAGLBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.342

Distribution Coefficient, logD

1.342

Water Solubility, LogSw

-2.18

Polar Surface Area

54.857

Acid Dissociation Constant (pKa)

25.62

Base Dissociation Constant (pKb)

-6.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.15

S828-3094 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S828-3094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S828-3094?
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What is the minimum amount of S828-3094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S828-3094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S828-3094
  • 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 S828-3094 available by request