7815-0181 Screening compound: 2-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-methyl-1H-1,3-benzodiazole

7815-0181 Screening compound: 2-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-methyl-1H-1,3-benzodiazole
7815-0181 Screening compound: 2-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-methyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 7815-0181
2-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-methyl-1H-1,3-benzodiazole

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

7815-0181

Molecular Formula

C18H16N4O2S (C18 H16 N4 O2 S)

Compound Name

2-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-methyl-1H-1,3-benzodiazole

IUPAC name

2-({[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]methyl}sulfanyl)-5-methyl-1H-13-benzodiazole

SMILES

Cc(cc1)cc2c1[nH]c(SCc1nc(-c(cc3)ccc3OC)no1)n2

InChI

InChI=1S/C18H16N4O2S/c1-11-3-8-14-15(9-11)20-18(19-14)25-10-16-21-17(22-24-16)12-4-6-13(23-2)7-5-12/h3-9H,10H2,1-2H3,(H,19,20)

InChI Key

SCLICPRKDWHSOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06633924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.444

Distribution Coefficient, logD

4.420

Water Solubility, LogSw

-4.33

Polar Surface Area

56.867

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

7815-0181 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 7815-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7815-0181?
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What is the minimum amount of 7815-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7815-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7815-0181
  • 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 7815-0181 available by request