G642-1519 Screening compound: 3'-acetyl-3,3-diphenyl-5'-(pyridin-4-yl)-2,3-dihydro-3'H-spiro[indene-1,2'-[1,3,4]oxadiazol]-2-one

G642-1519 Screening compound: 3'-acetyl-3,3-diphenyl-5'-(pyridin-4-yl)-2,3-dihydro-3'H-spiro[indene-1,2'-[1,3,4]oxadiazol]-2-one
G642-1519 Screening compound: 3'-acetyl-3,3-diphenyl-5'-(pyridin-4-yl)-2,3-dihydro-3'H-spiro[indene-1,2'-[1,3,4]oxadiazol]-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-1519
3'-acetyl-3,3-diphenyl-5'-(pyridin-4-yl)-2,3-dihydro-3'H-spiro[indene-1,2'-[1,3,4]oxadiazol]-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

G642-1519

Molecular Formula

C29H21N3O3 (C29 H21 N3 O3)

Compound Name

3'-acetyl-3,3-diphenyl-5'-(pyridin-4-yl)-2,3-dihydro-3'H-spiro[indene-1,2'-[1,3,4]oxadiazol]-2-one

IUPAC name

3'-acetyl-33-diphenyl-5'-(pyridin-4-yl)-23-dihydro-3'H-spiro[indene-12'-[134]oxadiazol]-2-one

SMILES

CC(N1N=C(c2ccncc2)OC1(C(C1(c2ccccc2)c2ccccc2)=O)c2c1cccc2)=O

InChI

InChI=1S/C29H21N3O3/c1-20(33)32-29(35-26(31-32)21-16-18-30-19-17-21)25-15-9-8-14-24(25)28(27(29)34,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-19H,1H3/t29-/m1/s1

InChI Key

IQGKLQYVZGNKMQ-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD15025210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.635

Distribution Coefficient, logD

4.620

Water Solubility, LogSw

-4.49

Polar Surface Area

57.062

Acid Dissociation Constant (pKa)

23.83

Base Dissociation Constant (pKb)

5.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.30

G642-1519 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G642-1519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-1519?
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What is the minimum amount of G642-1519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-1519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-1519
  • 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 G642-1519 available by request