8015-4298 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one

8015-4298 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one
8015-4298 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-4298
2-{[(2-chlorophenyl)methyl]sulfanyl}-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-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

8015-4298

Molecular Formula

C30H27ClN2OS (C30 H27 ClN2 OS)

Compound Name

2-{[(2-chlorophenyl)methyl]sulfanyl}-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one

IUPAC name

2-{[(2-chlorophenyl)methyl]sulfanyl}-3-phenyl-46-dihydro-3H-spiro[benzo[h]quinazoline-51'-cyclohexan]-4-one

SMILES

O=C1N(c2ccccc2)C(SCc(cccc2)c2Cl)=NC2=C1C1(CCCCC1)Cc1c2cccc1

InChI

InChI=1S/C30H27ClN2OS/c31-25-16-8-6-12-22(25)20-35-29-32-27-24-15-7-5-11-21(24)19-30(17-9-2-10-18-30)26(27)28(34)33(29)23-13-3-1-4-14-23/h1,3-8,11-16H,2,9-10,17-20H2

InChI Key

VHLLVGPSJDQXLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04007726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.08

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.353

Distribution Coefficient, logD

7.321

Water Solubility, LogSw

-6.43

Polar Surface Area

24.938

Acid Dissociation Constant (pKa)

23.30

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

8015-4298 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8015-4298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-4298?
Check Price and Availability of 8015-4298, 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 8015-4298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-4298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-4298
  • 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 8015-4298 available by request