G945-0654 Screening compound: 4-[3-(1-cyclopentyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline

G945-0654 Screening compound: 4-[3-(1-cyclopentyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
G945-0654 Screening compound: 4-[3-(1-cyclopentyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound G945-0654
4-[3-(1-cyclopentyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline

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

G945-0654

Molecular Formula

C22H23N5O (C22 H23 N5 O)

Compound Name

4-[3-(1-cyclopentyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline

IUPAC name

4-[3-(1-cyclopentyl-1H-13-benzodiazol-5-yl)-124-oxadiazol-5-yl]-NN-dimethylaniline

SMILES

CN(C)c(cc1)ccc1-c1nc(-c(cc2)cc3c2n(C2CCCC2)cn3)no1

InChI

InChI=1S/C22H23N5O/c1-26(2)17-10-7-15(8-11-17)22-24-21(25-28-22)16-9-12-20-19(13-16)23-14-27(20)18-5-3-4-6-18/h7-14,18H,3-6H2,1-2H3

InChI Key

UZMDHQOIWMCSRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15076699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.064

Distribution Coefficient, logD

5.064

Water Solubility, LogSw

-4.79

Polar Surface Area

45.292

Acid Dissociation Constant (pKa)

22.10

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

G945-0654 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G945-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G945-0654?
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What is the minimum amount of G945-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G945-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G945-0654
  • 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 G945-0654 available by request