3393-0127 Screening compound: 3,3-dimethyl-11-(3-pyridyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3393-0127 Screening compound: 3,3-dimethyl-11-(3-pyridyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3393-0127 Screening compound: 3,3-dimethyl-11-(3-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 3393-0127
3,3-dimethyl-11-(3-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

3393-0127

Molecular Formula

C20H21N3O (C20 H21 N3 O)

Compound Name

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

IUPAC name

1414-dimethyl-10-(pyridin-3-yl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CC(C)(C1)CC(Nc(cccc2)c2NC2c3cnccc3)=C2C1=O

InChI

InChI=1S/C20H21N3O/c1-20(2)10-16-18(17(24)11-20)19(13-6-5-9-21-12-13)23-15-8-4-3-7-14(15)22-16/h3-9,12,19,22-23H,10-11H2,1-2H3/t19-/m0/s1

InChI Key

OXHCYXWMAGJQFK-IBGZPJMESA-N

MDL Number (MFCD)

MFCD01471096

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

319.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.004

Distribution Coefficient, logD

2.994

Water Solubility, LogSw

-3.01

Polar Surface Area

46.266

Acid Dissociation Constant (pKa)

9.13

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

3393-0127 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Dark Chemical Matter Library (18430 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3393-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3393-0127?
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What is the minimum amount of 3393-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3393-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3393-0127
  • 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 3393-0127 available by request