8014-6823 Screening compound: methyl 11-(2,4-dimethoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate

8014-6823 Screening compound: methyl 11-(2,4-dimethoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
8014-6823 Screening compound: methyl 11-(2,4-dimethoxyphenyl)-3-methyl-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 8014-6823
methyl 11-(2,4-dimethoxyphenyl)-3-methyl-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

8014-6823

Molecular Formula

C24H26N2O5 (C24 H26 N2 O5)

Compound Name

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

IUPAC name

methyl 10-(24-dimethoxyphenyl)-14-methyl-12-oxo-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraene-13-carboxylate

SMILES

CC(CC1=C2C(c(ccc(OC)c3)c3OC)Nc(cccc3)c3N1)C(C(OC)=O)C2=O

InChI

InChI=1S/C24H26N2O5/c1-13-11-18-21(23(27)20(13)24(28)31-4)22(26-17-8-6-5-7-16(17)25-18)15-10-9-14(29-2)12-19(15)30-3/h5-10,12-13,20,22,25-26H,11H2,1-4H3

InChI Key

JWJXLFHPQPNNPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03632431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.757

Distribution Coefficient, logD

3.753

Water Solubility, LogSw

-4.12

Polar Surface Area

72.995

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

33.33

8014-6823 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 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 8014-6823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-6823?
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What is the minimum amount of 8014-6823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-6823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-6823
  • 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 8014-6823 available by request