3393-0120 Screening compound: 11-(4-methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3393-0120 Screening compound: 11-(4-methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3393-0120 Screening compound: 11-(4-methoxyphenyl)-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 3393-0120
11-(4-methoxyphenyl)-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

3393-0120

Molecular Formula

C22H24N2O2 (C22 H24 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C1)CC(Nc(cccc2)c2NC2c(cc3)ccc3OC)=C2C1=O

InChI

InChI=1S/C22H24N2O2/c1-22(2)12-18-20(19(25)13-22)21(14-8-10-15(26-3)11-9-14)24-17-7-5-4-6-16(17)23-18/h4-11,21,23-24H,12-13H2,1-3H3/t21-/m0/s1

InChI Key

GIDGOTRHCNXXKW-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00731293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.44

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

4.063

Distribution Coefficient, logD

4.052

Water Solubility, LogSw

-4.31

Polar Surface Area

44.292

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

3393-0120 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3393-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3393-0120?
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What is the minimum amount of 3393-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3393-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3393-0120
  • 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 3393-0120 available by request