3379-1473 Screening compound: 2-[3-(3-bromophenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-ylsulfanyl]acetamide

3379-1473 Screening compound: 2-[3-(3-bromophenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-ylsulfanyl]acetamide
3379-1473 Screening compound: 2-[3-(3-bromophenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-ylsulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-1473
2-[3-(3-bromophenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-ylsulfanyl]acetamide

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

3379-1473

Molecular Formula

C25H24BrN3O2S (C25 H24 BrN3 O2 S)

Compound Name

2-[3-(3-bromophenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-ylsulfanyl]acetamide

IUPAC name

2-[3-(3-bromophenyl)-4-oxo-46-dihydro-3H-spiro[benzo[h]quinazoline-51'-cyclohexan]-2-ylsulfanyl]acetamide

SMILES

NC(CSC(N1c2cccc(Br)c2)=NC(c2c(CC34CCCCC4)cccc2)=C3C1=O)=O

InChI

InChI=1S/C25H24BrN3O2S/c26-17-8-6-9-18(13-17)29-23(31)21-22(28-24(29)32-15-20(27)30)19-10-3-2-7-16(19)14-25(21)11-4-1-5-12-25/h2-3,6-10,13H,1,4-5,11-12,14-15H2,(H2,27,30)

InChI Key

YRZSCBFJQWIZBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02642369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.847

Distribution Coefficient, logD

4.835

Water Solubility, LogSw

-4.82

Polar Surface Area

58.597

Acid Dissociation Constant (pKa)

15.95

Base Dissociation Constant (pKb)

5.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

3379-1473 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 3379-1473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-1473?
Check Price and Availability of 3379-1473, 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 3379-1473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-1473
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-1473
  • 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 3379-1473 available by request