8014-6849 Screening compound: methyl 3-methyl-11-(4-methylphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate

8014-6849 Screening compound: methyl 3-methyl-11-(4-methylphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
8014-6849 Screening compound: methyl 3-methyl-11-(4-methylphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-6849
methyl 3-methyl-11-(4-methylphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate

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

8014-6849

Molecular Formula

C23H24N2O3 (C23 H24 N2 O3)

Compound Name

methyl 3-methyl-11-(4-methylphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate

IUPAC name

methyl 14-methyl-10-(4-methylphenyl)-12-oxo-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraene-13-carboxylate

SMILES

CC(CC1=C2C(c3ccc(C)cc3)Nc(cccc3)c3N1)C(C(OC)=O)C2=O

InChI

InChI=1S/C23H24N2O3/c1-13-8-10-15(11-9-13)21-20-18(24-16-6-4-5-7-17(16)25-21)12-14(2)19(22(20)26)23(27)28-3/h4-11,14,19,21,24-25H,12H2,1-3H3

InChI Key

OFMKWEQNGGUDMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03632457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.996

Distribution Coefficient, logD

3.992

Water Solubility, LogSw

-4.11

Polar Surface Area

57.821

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

8.70

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

30.43

8014-6849 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8014-6849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-6849?
Check Price and Availability of 8014-6849, 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 8014-6849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-6849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-6849
  • 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 8014-6849 available by request