8014-6857 Screening compound: methyl 3-methyl-11-(2-naphthyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate

8014-6857 Screening compound: methyl 3-methyl-11-(2-naphthyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
8014-6857 Screening compound: methyl 3-methyl-11-(2-naphthyl)-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 8014-6857
methyl 3-methyl-11-(2-naphthyl)-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

8014-6857

Molecular Formula

C26H24N2O3 (C26 H24 N2 O3)

Compound Name

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

IUPAC name

methyl 14-methyl-10-(naphthalen-2-yl)-12-oxo-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraene-13-carboxylate

SMILES

CC(CC1=C2C(c3cc4ccccc4cc3)Nc(cccc3)c3N1)C(C(OC)=O)C2=O

InChI

InChI=1S/C26H24N2O3/c1-15-13-21-23(25(29)22(15)26(30)31-2)24(28-20-10-6-5-9-19(20)27-21)18-12-11-16-7-3-4-8-17(16)14-18/h3-12,14-15,22,24,27-28H,13H2,1-2H3

InChI Key

JFDHLSJSCLORCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03632465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

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

4.924

Distribution Coefficient, logD

4.920

Water Solubility, LogSw

-5.45

Polar Surface Area

57.549

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

23.10

8014-6857 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8014-6857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-6857?
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What is the minimum amount of 8014-6857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-6857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-6857
  • 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 8014-6857 available by request