8010-5930 Screening compound: 11-(3-bromophenyl)-3,3,8-trimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

8010-5930 Screening compound: 11-(3-bromophenyl)-3,3,8-trimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
8010-5930 Screening compound: 11-(3-bromophenyl)-3,3,8-trimethyl-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 8010-5930
11-(3-bromophenyl)-3,3,8-trimethyl-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

8010-5930

Molecular Formula

C22H23BrN2O (C22 H23 BrN2 O)

Compound Name

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

IUPAC name

10-(3-bromophenyl)-61414-trimethyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

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

InChI

InChI=1S/C22H23BrN2O/c1-13-7-8-16-17(9-13)25-21(14-5-4-6-15(23)10-14)20-18(24-16)11-22(2,3)12-19(20)26/h4-10,21,24-25H,11-12H2,1-3H3/t21-/m0/s1

InChI Key

VATHCBGDQMOEST-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01945787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.34

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.272

Distribution Coefficient, logD

5.258

Water Solubility, LogSw

-5.16

Polar Surface Area

36.748

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

8010-5930 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with 8010-5930 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-5930?
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What is the minimum amount of 8010-5930 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5930
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5930
  • 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 8010-5930 available by request