7815-0180 Screening compound: 5-methyl-2-({[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1H-1,3-benzodiazole

7815-0180 Screening compound: 5-methyl-2-({[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1H-1,3-benzodiazole
7815-0180 Screening compound: 5-methyl-2-({[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 7815-0180
5-methyl-2-({[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-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

7815-0180

Molecular Formula

C18H16N4OS (C18 H16 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc2c1[nH]c(SCc1nc(-c3c(C)cccc3)no1)n2

InChI

InChI=1S/C18H16N4OS/c1-11-7-8-14-15(9-11)20-18(19-14)24-10-16-21-17(22-23-16)13-6-4-3-5-12(13)2/h3-9H,10H2,1-2H3,(H,19,20)

InChI Key

ZTTFTJMAQMSJPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.480

Distribution Coefficient, logD

4.455

Water Solubility, LogSw

-4.35

Polar Surface Area

49.323

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

7815-0180 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

CNS Targets (44014 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
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7815-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7815-0180?
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What is the minimum amount of 7815-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7815-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7815-0180
  • 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 7815-0180 available by request