G945-0037 Screening compound: N-{3-[3-(1-methyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl}furan-2-carboxamide

G945-0037 Screening compound: N-{3-[3-(1-methyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl}furan-2-carboxamide
G945-0037 Screening compound: N-{3-[3-(1-methyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G945-0037
N-{3-[3-(1-methyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl}furan-2-carboxamide

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

G945-0037

Molecular Formula

C21H15N5O3 (C21 H15 N5 O3)

Compound Name

N-{3-[3-(1-methyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl}furan-2-carboxamide

IUPAC name

N-{3-[3-(1-methyl-1H-13-benzodiazol-5-yl)-124-oxadiazol-5-yl]phenyl}furan-2-carboxamide

SMILES

Cn1c(ccc(-c2noc(-c3cccc(NC(c4ccco4)=O)c3)n2)c2)c2nc1

InChI

InChI=1S/C21H15N5O3/c1-26-12-22-16-11-13(7-8-17(16)26)19-24-21(29-25-19)14-4-2-5-15(10-14)23-20(27)18-6-3-9-28-18/h2-12H,1H3,(H,23,27)

InChI Key

LLFFEOSPJXRHCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.934

Distribution Coefficient, logD

3.933

Water Solubility, LogSw

-4.13

Polar Surface Area

74.326

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

G945-0037 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G945-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G945-0037?
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What is the minimum amount of G945-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G945-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G945-0037
  • 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 G945-0037 available by request