8018-1959 Screening compound: 1-[2-methyl-5-phenyl-2-(thiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethan-1-one

8018-1959 Screening compound: 1-[2-methyl-5-phenyl-2-(thiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethan-1-one
8018-1959 Screening compound: 1-[2-methyl-5-phenyl-2-(thiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1959
1-[2-methyl-5-phenyl-2-(thiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethan-1-one

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

8018-1959

Molecular Formula

C15H14N2O2S (C15 H14 N2 O2 S)

Compound Name

1-[2-methyl-5-phenyl-2-(thiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethan-1-one

IUPAC name

1-[2-methyl-5-phenyl-2-(thiophen-2-yl)-23-dihydro-134-oxadiazol-3-yl]ethan-1-one

SMILES

CC1(c2cccs2)OC(c2ccccc2)=NN1C(C)=O

InChI

InChI=1S/C15H14N2O2S/c1-11(18)17-15(2,13-9-6-10-20-13)19-14(16-17)12-7-4-3-5-8-12/h3-10H,1-2H3/t15-/m0/s1

InChI Key

KLRFWUCBTOJICR-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD07657199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.133

Distribution Coefficient, logD

3.133

Water Solubility, LogSw

-3.27

Polar Surface Area

35.401

Acid Dissociation Constant (pKa)

24.41

Base Dissociation Constant (pKb)

0.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8018-1959 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-1959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1959?
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What is the minimum amount of 8018-1959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1959
  • 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 8018-1959 available by request