G945-0629 Screening compound: N-{[3-(1-cyclopentyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylbenzamide

G945-0629 Screening compound: N-{[3-(1-cyclopentyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylbenzamide
G945-0629 Screening compound: N-{[3-(1-cyclopentyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G945-0629
N-{[3-(1-cyclopentyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylbenzamide

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

G945-0629

Molecular Formula

C23H23N5O2 (C23 H23 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(NCc1nc(-c(cc2)cc3c2n(C2CCCC2)cn3)no1)=O

InChI

InChI=1S/C23H23N5O2/c1-15-6-8-16(9-7-15)23(29)24-13-21-26-22(27-30-21)17-10-11-20-19(12-17)25-14-28(20)18-4-2-3-5-18/h6-12,14,18H,2-5,13H2,1H3,(H,24,29)

InChI Key

LYJFOMWWLXTDOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15076696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.569

Distribution Coefficient, logD

4.569

Water Solubility, LogSw

-4.37

Polar Surface Area

66.838

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

G945-0629 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with G945-0629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G945-0629?
Check Price and Availability of G945-0629, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G945-0629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G945-0629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G945-0629
  • 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 G945-0629 available by request