8011-0827 Screening compound: 8,8-dimethyl-3,5-diphenyl-1,4,5,7,8,9-hexahydro-6H-1,2-benzodiazepin-6-one

8011-0827 Screening compound: 8,8-dimethyl-3,5-diphenyl-1,4,5,7,8,9-hexahydro-6H-1,2-benzodiazepin-6-one
8011-0827 Screening compound: 8,8-dimethyl-3,5-diphenyl-1,4,5,7,8,9-hexahydro-6H-1,2-benzodiazepin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-0827
8,8-dimethyl-3,5-diphenyl-1,4,5,7,8,9-hexahydro-6H-1,2-benzodiazepin-6-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

8011-0827

Molecular Formula

C23H24N2O (C23 H24 N2 O)

Compound Name

8,8-dimethyl-3,5-diphenyl-1,4,5,7,8,9-hexahydro-6H-1,2-benzodiazepin-6-one

IUPAC name

88-dimethyl-35-diphenyl-456789-hexahydro-1H-12-benzodiazepin-6-one

SMILES

CC(C)(C1)CC(NN=C(CC2c3ccccc3)c3ccccc3)=C2C1=O

InChI

InChI=1S/C23H24N2O/c1-23(2)14-20-22(21(26)15-23)18(16-9-5-3-6-10-16)13-19(24-25-20)17-11-7-4-8-12-17/h3-12,18,25H,13-15H2,1-2H3/t18-/m0/s1

InChI Key

SIJHDAJEDHLNAO-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02647768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.803

Distribution Coefficient, logD

4.798

Water Solubility, LogSw

-4.62

Polar Surface Area

36.917

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.43

8011-0827 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8011-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-0827?
Check Price and Availability of 8011-0827, 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 8011-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-0827
  • 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 8011-0827 available by request