D386-0767 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-{[5-(1-ethyl-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide

D386-0767 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-{[5-(1-ethyl-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
D386-0767 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-{[5-(1-ethyl-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D386-0767
N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-{[5-(1-ethyl-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide

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

D386-0767

Molecular Formula

C23H22N6O2S (C23 H22 N6 O2 S)

Compound Name

N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-{[5-(1-ethyl-1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide

IUPAC name

N-[2-(1H-13-benzodiazol-2-yl)ethyl]-2-{[5-(1-ethyl-1H-indol-2-yl)-134-oxadiazol-2-yl]sulfanyl}acetamide

SMILES

CCn(c(-c(o1)nnc1SCC(NCCc1nc(cccc2)c2[nH]1)=O)c1)c2c1cccc2

InChI

InChI=1S/C23H22N6O2S/c1-2-29-18-10-6-3-7-15(18)13-19(29)22-27-28-23(31-22)32-14-21(30)24-12-11-20-25-16-8-4-5-9-17(16)26-20/h3-10,13H,2,11-12,14H2,1H3,(H,24,30)(H,25,26)

InChI Key

JEMGBVHBHVFYCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27582740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.235

Distribution Coefficient, logD

3.222

Water Solubility, LogSw

-3.51

Polar Surface Area

75.109

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D386-0767 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D386-0767 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D386-0767?
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What is the minimum amount of D386-0767 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D386-0767
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D386-0767
  • 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 D386-0767 available by request