3410-1733 Screening compound: 8-benzoyl-11-(3-chlorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3410-1733 Screening compound: 8-benzoyl-11-(3-chlorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3410-1733 Screening compound: 8-benzoyl-11-(3-chlorophenyl)-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 3410-1733
8-benzoyl-11-(3-chlorophenyl)-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

3410-1733

Molecular Formula

C28H25ClN2O2 (C28 H25 ClN2 O2)

Compound Name

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

IUPAC name

6-benzoyl-10-(3-chlorophenyl)-1414-dimethyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CC(C)(C1)CC(Nc(ccc(C(c2ccccc2)=O)c2)c2NC2c3cccc(Cl)c3)=C2C1=O

InChI

InChI=1S/C28H25ClN2O2/c1-28(2)15-23-25(24(32)16-28)26(18-9-6-10-20(29)13-18)31-22-14-19(11-12-21(22)30-23)27(33)17-7-4-3-5-8-17/h3-14,26,30-31H,15-16H2,1-2H3/t26-/m0/s1

InChI Key

HFLJXONATNMDAJ-SANMLTNESA-N

MDL Number (MFCD)

MFCD01947499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.97

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.240

Distribution Coefficient, logD

5.763

Water Solubility, LogSw

-6.25

Polar Surface Area

50.215

Acid Dissociation Constant (pKa)

7.10

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

3410-1733 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 3410-1733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3410-1733?
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What is the minimum amount of 3410-1733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3410-1733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3410-1733
  • 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 3410-1733 available by request