G945-0727 Screening compound: N-{4-[3-(1-cyclopentyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl}acetamide

G945-0727 Screening compound: N-{4-[3-(1-cyclopentyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl}acetamide
G945-0727 Screening compound: N-{4-[3-(1-cyclopentyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G945-0727
N-{4-[3-(1-cyclopentyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl}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

G945-0727

Molecular Formula

C22H21N5O2 (C22 H21 N5 O2)

Compound Name

N-{4-[3-(1-cyclopentyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl}acetamide

IUPAC name

N-{4-[3-(1-cyclopentyl-1H-13-benzodiazol-5-yl)-124-oxadiazol-5-yl]phenyl}acetamide

SMILES

CC(Nc(cc1)ccc1-c1nc(-c(cc2)cc3c2n(C2CCCC2)cn3)no1)=O

InChI

InChI=1S/C22H21N5O2/c1-14(28)24-17-9-6-15(7-10-17)22-25-21(26-29-22)16-8-11-20-19(12-16)23-13-27(20)18-4-2-3-5-18/h6-13,18H,2-5H2,1H3,(H,24,28)

InChI Key

OHEWRDPNKYENHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15076704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.175

Distribution Coefficient, logD

4.175

Water Solubility, LogSw

-4.25

Polar Surface Area

65.749

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

G945-0727 in Drug Discovery

Included in Screening Libraries

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 G945-0727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G945-0727?
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What is the minimum amount of G945-0727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G945-0727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G945-0727
  • 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 G945-0727 available by request