3393-0146 Screening compound: 7-benzoyl-11-[4-(dimethylamino)phenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3393-0146 Screening compound: 7-benzoyl-11-[4-(dimethylamino)phenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3393-0146 Screening compound: 7-benzoyl-11-[4-(dimethylamino)phenyl]-3,3-dimethyl-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 3393-0146
7-benzoyl-11-[4-(dimethylamino)phenyl]-3,3-dimethyl-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

3393-0146

Molecular Formula

C30H31N3O2 (C30 H31 N3 O2)

Compound Name

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

IUPAC name

5-benzoyl-10-[4-(dimethylamino)phenyl]-1414-dimethyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CC(C)(C1)CC(Nc(cc(cc2)C(c3ccccc3)=O)c2NC2c(cc3)ccc3N(C)C)=C2C1=O

InChI

InChI=1S/C30H31N3O2/c1-30(2)17-25-27(26(34)18-30)28(19-10-13-22(14-11-19)33(3)4)32-23-15-12-21(16-24(23)31-25)29(35)20-8-6-5-7-9-20/h5-16,28,31-32H,17-18H2,1-4H3/t28-/m0/s1

InChI Key

JDGYVPXJQPMSSF-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD01829846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.726

Distribution Coefficient, logD

5.662

Water Solubility, LogSw

-5.52

Polar Surface Area

53.020

Acid Dissociation Constant (pKa)

8.32

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

3393-0146 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3393-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3393-0146?
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What is the minimum amount of 3393-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3393-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3393-0146
  • 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 3393-0146 available by request