4232-0063 Screening compound: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methylphenyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one

4232-0063 Screening compound: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methylphenyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one
4232-0063 Screening compound: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methylphenyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4232-0063
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methylphenyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-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

4232-0063

Molecular Formula

C31H27BrN2O2S (C31 H27 BrN2 O2 S)

Compound Name

2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methylphenyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one

IUPAC name

2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methylphenyl)-46-dihydro-3H-spiro[benzo[h]quinazoline-51'-cyclopentan]-4-one

SMILES

Cc(cccc1)c1N1C(SCC(c(cc2)ccc2Br)=O)=NC(c2c(CC34CCCC4)cccc2)=C3C1=O

InChI

InChI=1S/C31H27BrN2O2S/c1-20-8-2-5-11-25(20)34-29(36)27-28(24-10-4-3-9-22(24)18-31(27)16-6-7-17-31)33-30(34)37-19-26(35)21-12-14-23(32)15-13-21/h2-5,8-15H,6-7,16-19H2,1H3

InChI Key

BYTQIBWAAWTNQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02763691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

571.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.165

Distribution Coefficient, logD

7.093

Water Solubility, LogSw

-5.63

Polar Surface Area

38.250

Acid Dissociation Constant (pKa)

22.99

Base Dissociation Constant (pKb)

6.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

4232-0063 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 4232-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4232-0063?
Check Price and Availability of 4232-0063, 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 4232-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4232-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4232-0063
  • 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 4232-0063 available by request