G945-0251 Screening compound: 1-ethyl-5-[5-(1-phenoxyethyl)-1,2,4-oxadiazol-3-yl]-1H-1,3-benzodiazole

G945-0251 Screening compound: 1-ethyl-5-[5-(1-phenoxyethyl)-1,2,4-oxadiazol-3-yl]-1H-1,3-benzodiazole
G945-0251 Screening compound: 1-ethyl-5-[5-(1-phenoxyethyl)-1,2,4-oxadiazol-3-yl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G945-0251
1-ethyl-5-[5-(1-phenoxyethyl)-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

G945-0251

Molecular Formula

C19H18N4O2 (C19 H18 N4 O2)

Compound Name

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

IUPAC name

1-ethyl-5-[5-(1-phenoxyethyl)-124-oxadiazol-3-yl]-1H-13-benzodiazole

SMILES

CCn1c(ccc(-c2noc(C(C)Oc3ccccc3)n2)c2)c2nc1

InChI

InChI=1S/C19H18N4O2/c1-3-23-12-20-16-11-14(9-10-17(16)23)18-21-19(25-22-18)13(2)24-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3/t13-/m0/s1

InChI Key

PHDOAKPHFRXUKU-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27169465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.289

Distribution Coefficient, logD

4.289

Water Solubility, LogSw

-4.30

Polar Surface Area

48.614

Acid Dissociation Constant (pKa)

24.49

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

G945-0251 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G945-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G945-0251?
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What is the minimum amount of G945-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G945-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G945-0251
  • 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 G945-0251 available by request