8010-3829 Screening compound: 3-phenyl-11-(4-pyridyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

8010-3829 Screening compound: 3-phenyl-11-(4-pyridyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
8010-3829 Screening compound: 3-phenyl-11-(4-pyridyl)-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 8010-3829
3-phenyl-11-(4-pyridyl)-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

8010-3829

Molecular Formula

C24H21N3O (C24 H21 N3 O)

Compound Name

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

IUPAC name

14-phenyl-10-(pyridin-4-yl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

O=C(CC(C1)c2ccccc2)C2=C1Nc(cccc1)c1NC2c1ccncc1

InChI

InChI=1S/C24H21N3O/c28-22-15-18(16-6-2-1-3-7-16)14-21-23(22)24(17-10-12-25-13-11-17)27-20-9-5-4-8-19(20)26-21/h1-13,18,24,26-27H,14-15H2

InChI Key

VLACKTMVJUXYKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01814398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.124

Distribution Coefficient, logD

4.107

Water Solubility, LogSw

-4.14

Polar Surface Area

45.905

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.70

8010-3829 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-3829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3829?
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What is the minimum amount of 8010-3829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3829
  • 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 8010-3829 available by request