3379-1472 Screening compound: ethyl 2-[3-(3-bromophenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-ylsulfanyl]acetate

3379-1472 Screening compound: ethyl 2-[3-(3-bromophenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-ylsulfanyl]acetate
3379-1472 Screening compound: ethyl 2-[3-(3-bromophenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-ylsulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-1472
ethyl 2-[3-(3-bromophenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-ylsulfanyl]acetate

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

3379-1472

Molecular Formula

C27H27BrN2O3S (C27 H27 BrN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C27H27BrN2O3S/c1-2-33-22(31)17-34-26-29-24-21-12-5-4-9-18(21)16-27(13-6-3-7-14-27)23(24)25(32)30(26)20-11-8-10-19(28)15-20/h4-5,8-12,15H,2-3,6-7,13-14,16-17H2,1H3

InChI Key

VADDJWAGINDPIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02642368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.219

Distribution Coefficient, logD

6.200

Water Solubility, LogSw

-5.33

Polar Surface Area

45.368

Acid Dissociation Constant (pKa)

23.30

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

3379-1472 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 3379-1472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-1472?
Check Price and Availability of 3379-1472, 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 3379-1472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-1472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-1472
  • 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 3379-1472 available by request