8014-6833 Screening compound: methyl 11-(2-bromo-4,5-dimethoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate

8014-6833 Screening compound: methyl 11-(2-bromo-4,5-dimethoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
8014-6833 Screening compound: methyl 11-(2-bromo-4,5-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 8014-6833
methyl 11-(2-bromo-4,5-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

8014-6833

Molecular Formula

C24H25BrN2O5 (C24 H25 BrN2 O5)

Compound Name

methyl 11-(2-bromo-4,5-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-(2-bromo-45-dimethoxyphenyl)-14-methyl-12-oxo-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraene-13-carboxylate

SMILES

CC(CC1=C2C(c(cc(c(OC)c3)OC)c3Br)Nc(cccc3)c3N1)C(C(OC)=O)C2=O

InChI

InChI=1S/C24H25BrN2O5/c1-12-9-17-21(23(28)20(12)24(29)32-4)22(27-16-8-6-5-7-15(16)26-17)13-10-18(30-2)19(31-3)11-14(13)25/h5-8,10-12,20,22,26-27H,9H2,1-4H3

InChI Key

RQRSEQSVLVMJDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03632441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.38

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

3.740

Distribution Coefficient, logD

3.738

Water Solubility, LogSw

-4.05

Polar Surface Area

73.081

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

8.88

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

33.33

8014-6833 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8014-6833 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-6833?
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What is the minimum amount of 8014-6833 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-6833
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-6833
  • 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 8014-6833 available by request