8008-4615 Screening compound: 2-cyclohexyl-6-(2-cyclohexyl-4-oxo-4H-3,1-benzoxazin-6-yl)-4H-3,1-benzoxazin-4-one

8008-4615 Screening compound: 2-cyclohexyl-6-(2-cyclohexyl-4-oxo-4H-3,1-benzoxazin-6-yl)-4H-3,1-benzoxazin-4-one
8008-4615 Screening compound: 2-cyclohexyl-6-(2-cyclohexyl-4-oxo-4H-3,1-benzoxazin-6-yl)-4H-3,1-benzoxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4615
2-cyclohexyl-6-(2-cyclohexyl-4-oxo-4H-3,1-benzoxazin-6-yl)-4H-3,1-benzoxazin-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

8008-4615

Molecular Formula

C28H28N2O4 (C28 H28 N2 O4)

Compound Name

2-cyclohexyl-6-(2-cyclohexyl-4-oxo-4H-3,1-benzoxazin-6-yl)-4H-3,1-benzoxazin-4-one

IUPAC name

2-cyclohexyl-6-(2-cyclohexyl-4-oxo-4H-31-benzoxazin-6-yl)-4H-31-benzoxazin-4-one

SMILES

O=C1OC(C2CCCCC2)=Nc(cc2)c1cc2-c(cc1)cc2c1N=C(C1CCCCC1)OC2=O

InChI

InChI=1S/C28H28N2O4/c31-27-21-15-19(11-13-23(21)29-25(33-27)17-7-3-1-4-8-17)20-12-14-24-22(16-20)28(32)34-26(30-24)18-9-5-2-6-10-18/h11-18H,1-10H2

InChI Key

DVIXYRJBMXUHHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01158790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.429

Distribution Coefficient, logD

6.429

Water Solubility, LogSw

-6.04

Polar Surface Area

60.245

Acid Dissociation Constant (pKa)

23.14

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

8008-4615 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8008-4615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4615?
Check Price and Availability of 8008-4615, 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 8008-4615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4615
  • 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 8008-4615 available by request