G945-0317 Screening compound: 1-(3,4-dimethylphenyl)-4-[3-(1-propyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

G945-0317 Screening compound: 1-(3,4-dimethylphenyl)-4-[3-(1-propyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
G945-0317 Screening compound: 1-(3,4-dimethylphenyl)-4-[3-(1-propyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G945-0317
1-(3,4-dimethylphenyl)-4-[3-(1-propyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

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

G945-0317

Molecular Formula

C24H25N5O2 (C24 H25 N5 O2)

Compound Name

1-(3,4-dimethylphenyl)-4-[3-(1-propyl-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

IUPAC name

1-(34-dimethylphenyl)-4-[3-(1-propyl-1H-13-benzodiazol-5-yl)-124-oxadiazol-5-yl]pyrrolidin-2-one

SMILES

CCCn1c(ccc(-c2noc(C(CC3=O)CN3c3cc(C)c(C)cc3)n2)c2)c2nc1

InChI

InChI=1S/C24H25N5O2/c1-4-9-28-14-25-20-11-17(6-8-21(20)28)23-26-24(31-27-23)18-12-22(30)29(13-18)19-7-5-15(2)16(3)10-19/h5-8,10-11,14,18H,4,9,12-13H2,1-3H3/t18-/m1/s1

InChI Key

YFPRCASDGZSMGW-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27169500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.098

Distribution Coefficient, logD

5.098

Water Solubility, LogSw

-4.84

Polar Surface Area

58.829

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

G945-0317 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with G945-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G945-0317?
Check Price and Availability of G945-0317, 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 G945-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G945-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G945-0317
  • 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 G945-0317 available by request