7815-0177 Screening compound: 2-({[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-methyl-1H-1,3-benzodiazole

7815-0177 Screening compound: 2-({[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-methyl-1H-1,3-benzodiazole
7815-0177 Screening compound: 2-({[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-methyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 7815-0177
2-({[3-(2,5-dimethoxyphenyl)-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

7815-0177

Molecular Formula

C19H18N4O3S (C19 H18 N4 O3 S)

Compound Name

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

IUPAC name

2-({[3-(25-dimethoxyphenyl)-124-oxadiazol-5-yl]methyl}sulfanyl)-5-methyl-1H-13-benzodiazole

SMILES

Cc(cc1)cc2c1[nH]c(SCc1nc(-c(cc(cc3)OC)c3OC)no1)n2

InChI

InChI=1S/C19H18N4O3S/c1-11-4-6-14-15(8-11)21-19(20-14)27-10-17-22-18(23-26-17)13-9-12(24-2)5-7-16(13)25-3/h4-9H,10H2,1-3H3,(H,20,21)

InChI Key

IWHYLBVKVPRJNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06752239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

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

4.105

Distribution Coefficient, logD

4.081

Water Solubility, LogSw

-4.34

Polar Surface Area

64.497

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

7815-0177 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 7815-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7815-0177?
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What is the minimum amount of 7815-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7815-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7815-0177
  • 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 7815-0177 available by request