3393-0005 Screening compound: 3-[4-(diethylamino)phenyl]-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3393-0005 Screening compound: 3-[4-(diethylamino)phenyl]-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3393-0005 Screening compound: 3-[4-(diethylamino)phenyl]-11-phenyl-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 3393-0005
3-[4-(diethylamino)phenyl]-11-phenyl-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

3393-0005

Molecular Formula

C29H31N3O (C29 H31 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)c1ccc(C(C2)CC(Nc(cccc3)c3NC3c4ccccc4)=C3C2=O)cc1

InChI

InChI=1S/C29H31N3O/c1-3-32(4-2)23-16-14-20(15-17-23)22-18-26-28(27(33)19-22)29(21-10-6-5-7-11-21)31-25-13-9-8-12-24(25)30-26/h5-17,22,29-31H,3-4,18-19H2,1-2H3

InChI Key

DNXSRZULBGSFSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01948747

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

437.58

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.092

Distribution Coefficient, logD

6.061

Water Solubility, LogSw

-5.54

Polar Surface Area

39.213

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.60

3393-0005 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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 3393-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3393-0005?
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What is the minimum amount of 3393-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3393-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3393-0005
  • 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 3393-0005 available by request