G945-0255 Screening compound: 1-ethyl-5-{5-[2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazole

G945-0255 Screening compound: 1-ethyl-5-{5-[2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazole
G945-0255 Screening compound: 1-ethyl-5-{5-[2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G945-0255
1-ethyl-5-{5-[2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl}-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

G945-0255

Molecular Formula

C21H19N5O (C21 H19 N5 O)

Compound Name

1-ethyl-5-{5-[2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazole

IUPAC name

1-ethyl-5-{5-[2-(1H-indol-3-yl)ethyl]-124-oxadiazol-3-yl}-1H-13-benzodiazole

SMILES

CCn1c(ccc(-c2noc(CCc3c[nH]c4c3cccc4)n2)c2)c2nc1

InChI

InChI=1S/C21H19N5O/c1-2-26-13-23-18-11-14(7-9-19(18)26)21-24-20(27-25-21)10-8-15-12-22-17-6-4-3-5-16(15)17/h3-7,9,11-13,22H,2,8,10H2,1H3

InChI Key

CURMLMOTGVOHHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.403

Distribution Coefficient, logD

4.403

Water Solubility, LogSw

-4.27

Polar Surface Area

51.362

Acid Dissociation Constant (pKa)

17.92

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G945-0255 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G945-0255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G945-0255?
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What is the minimum amount of G945-0255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G945-0255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G945-0255
  • 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 G945-0255 available by request