S828-1026 Screening compound: {(2S)-4,4-difluoro-2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]tetrahydro-1H-pyrrol-1-yl}(2-methyl-3-furyl)methanone

S828-1026 Screening compound: {(2S)-4,4-difluoro-2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]tetrahydro-1H-pyrrol-1-yl}(2-methyl-3-furyl)methanone
S828-1026 Screening compound: {(2S)-4,4-difluoro-2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]tetrahydro-1H-pyrrol-1-yl}(2-methyl-3-furyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S828-1026
{(2S)-4,4-difluoro-2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]tetrahydro-1H-pyrrol-1-yl}(2-methyl-3-furyl)methanone

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

S828-1026

Molecular Formula

C14H15F2N3O4 (C14 H15 F2 N3 O4)

Compound Name

{(2S)-4,4-difluoro-2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]tetrahydro-1H-pyrrol-1-yl}(2-methyl-3-furyl)methanone

IUPAC name

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

SMILES

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

InChI

InChI=1S/C14H15F2N3O4/c1-8-9(3-4-22-8)13(20)19-7-14(15,16)5-10(19)12-18-17-11(23-12)6-21-2/h3-4,10H,5-7H2,1-2H3/t10-/m1/s1

InChI Key

LXHPFQDJEWDTMF-SNVBAGLBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.082

Distribution Coefficient, logD

1.082

Water Solubility, LogSw

-2.19

Polar Surface Area

63.718

Acid Dissociation Constant (pKa)

25.62

Base Dissociation Constant (pKb)

-7.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S828-1026 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 S828-1026 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of S828-1026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S828-1026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S828-1026
  • 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 S828-1026 available by request