3103-0089 Screening compound: 1-(4-FLUOROPHENYL)-2-{[5-(3,4,5-TRIMETHOXYPHENYL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}-1-ETHANONE

3103-0089 Screening compound: 1-(4-FLUOROPHENYL)-2-{[5-(3,4,5-TRIMETHOXYPHENYL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}-1-ETHANONE
3103-0089 Screening compound: 1-(4-FLUOROPHENYL)-2-{[5-(3,4,5-TRIMETHOXYPHENYL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}-1-ETHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 3103-0089
1-(4-FLUOROPHENYL)-2-{[5-(3,4,5-TRIMETHOXYPHENYL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}-1-ETHANONE

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

3103-0089

Molecular Formula

C19H17FN2O5S (C19 H17 FN2 O5 S)

Compound Name

1-(4-FLUOROPHENYL)-2-{[5-(3,4,5-TRIMETHOXYPHENYL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}-1-ETHANONE

IUPAC name

1-(4-fluorophenyl)-2-{[5-(345-trimethoxyphenyl)-134-oxadiazol-2-yl]sulfanyl}ethan-1-one

SMILES

COc1cc(-c(o2)nnc2SCC(c(cc2)ccc2F)=O)cc(OC)c1OC

InChI

InChI=1S/C19H17FN2O5S/c1-24-15-8-12(9-16(25-2)17(15)26-3)18-21-22-19(27-18)28-10-14(23)11-4-6-13(20)7-5-11/h4-9H,10H2,1-3H3

InChI Key

JTTHSOYIVQMZHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.814

Distribution Coefficient, logD

2.814

Water Solubility, LogSw

-3.28

Polar Surface Area

66.289

Acid Dissociation Constant (pKa)

17.17

Base Dissociation Constant (pKb)

-3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

References: we are preparing a list of scientific research reports with 3103-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3103-0089?
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What is the minimum amount of 3103-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3103-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3103-0089
  • 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 3103-0089 available by request