S826-5155 Screening compound: [1-(3-fluoro-4-methylbenzoyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]methanol

S826-5155 Screening compound: [1-(3-fluoro-4-methylbenzoyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]methanol
S826-5155 Screening compound: [1-(3-fluoro-4-methylbenzoyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S826-5155
[1-(3-fluoro-4-methylbenzoyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]methanol

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

S826-5155

Molecular Formula

C17H20FN3O4 (C17 H20 FN3 O4)

Compound Name

[1-(3-fluoro-4-methylbenzoyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]methanol

IUPAC name

[(3S4S)-1-(3-fluoro-4-methylbenzoyl)-4-[3-(methoxymethyl)-124-oxadiazol-5-yl]pyrrolidin-3-yl]methanol

SMILES

Cc(ccc(C(N(C[C@@H]1CO)C[C@@H]1c1nc(COC)no1)=O)c1)c1F

InChI

InChI=1S/C17H20FN3O4/c1-10-3-4-11(5-14(10)18)17(23)21-6-12(8-22)13(7-21)16-19-15(9-24-2)20-25-16/h3-5,12-13,22H,6-9H2,1-2H3/t12-,13+/m0/s1

InChI Key

XTBBPVFMBGTLHZ-QWHCGFSZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.380

Distribution Coefficient, logD

1.380

Water Solubility, LogSw

-2.20

Polar Surface Area

75.326

Acid Dissociation Constant (pKa)

16.23

Base Dissociation Constant (pKb)

-3.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.06

References: we are preparing a list of scientific research reports with S826-5155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S826-5155?
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What is the minimum amount of S826-5155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S826-5155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S826-5155
  • 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 S826-5155 available by request