4164-0132 Screening compound: 3-(cyclohexylmethyl)-2-(methylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one

4164-0132 Screening compound: 3-(cyclohexylmethyl)-2-(methylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one
4164-0132 Screening compound: 3-(cyclohexylmethyl)-2-(methylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4164-0132
3-(cyclohexylmethyl)-2-(methylsulfanyl)-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

4164-0132

Molecular Formula

C25H32N2OS (C25 H32 N2 OS)

Compound Name

3-(cyclohexylmethyl)-2-(methylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one

IUPAC name

3-(cyclohexylmethyl)-2-(methylsulfanyl)-46-dihydro-3H-spiro[benzo[h]quinazoline-51'-cyclohexan]-4-one

SMILES

CSC(N1CC2CCCCC2)=NC(c2c(CC34CCCCC4)cccc2)=C3C1=O

InChI

InChI=1S/C25H32N2OS/c1-29-24-26-22-20-13-7-6-12-19(20)16-25(14-8-3-9-15-25)21(22)23(28)27(24)17-18-10-4-2-5-11-18/h6-7,12-13,18H,2-5,8-11,14-17H2,1H3

InChI Key

XDBXCTTYLRGZOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00688854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.515

Distribution Coefficient, logD

6.515

Water Solubility, LogSw

-5.67

Polar Surface Area

26.013

Acid Dissociation Constant (pKa)

23.30

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

4164-0132 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 4164-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4164-0132?
Check Price and Availability of 4164-0132, 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 4164-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4164-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4164-0132
  • 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 4164-0132 available by request