8014-6798 Screening compound: 11-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

8014-6798 Screening compound: 11-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
8014-6798 Screening compound: 11-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-6798
11-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-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

8014-6798

Molecular Formula

C27H26N2O3 (C27 H26 N2 O3)

Compound Name

11-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

10-(2-hydroxy-3-methoxyphenyl)-14-(4-methylphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

Cc1ccc(C(C2)CC(Nc(cccc3)c3NC3c(cccc4OC)c4O)=C3C2=O)cc1

InChI

InChI=1S/C27H26N2O3/c1-16-10-12-17(13-11-16)18-14-22-25(23(30)15-18)26(19-6-5-9-24(32-2)27(19)31)29-21-8-4-3-7-20(21)28-22/h3-13,18,26,28-29,31H,14-15H2,1-2H3

InChI Key

XYKAAHIVTFOQNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03632408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.546

Distribution Coefficient, logD

5.530

Water Solubility, LogSw

-5.46

Polar Surface Area

59.586

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

8.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

8014-6798 in Drug Discovery

Included in Screening Libraries

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

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8014-6798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-6798?
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What is the minimum amount of 8014-6798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-6798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-6798
  • 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 8014-6798 available by request