3966-2951 Screening compound: N'-{4-oxo-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl}propanehydrazide

3966-2951 Screening compound: N'-{4-oxo-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl}propanehydrazide
3966-2951 Screening compound: N'-{4-oxo-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl}propanehydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-2951
N'-{4-oxo-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl}propanehydrazide

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

3966-2951

Molecular Formula

C25H26N4O2 (C25 H26 N4 O2)

Compound Name

N'-{4-oxo-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl}propanehydrazide

IUPAC name

N'-{4-oxo-3-phenyl-46-dihydro-3H-spiro[benzo[h]quinazoline-51'-cyclopentan]-2-yl}propanehydrazide

SMILES

CCC(NNC(N1c2ccccc2)=NC(c2c(CC34CCCC4)cccc2)=C3C1=O)=O

InChI

InChI=1S/C25H26N4O2/c1-2-20(30)27-28-24-26-22-19-13-7-6-10-17(19)16-25(14-8-9-15-25)21(22)23(31)29(24)18-11-4-3-5-12-18/h3-7,10-13H,2,8-9,14-16H2,1H3,(H,26,28)(H,27,30)

InChI Key

BYCVUSGWAINEOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02763777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.514

Distribution Coefficient, logD

3.508

Water Solubility, LogSw

-3.61

Polar Surface Area

61.967

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

3966-2951 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3966-2951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-2951?
Check Price and Availability of 3966-2951, 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 3966-2951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-2951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-2951
  • 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 3966-2951 available by request