8009-9752 Screening compound: 11-(6-chloro-1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

8009-9752 Screening compound: 11-(6-chloro-1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
8009-9752 Screening compound: 11-(6-chloro-1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-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 8009-9752
11-(6-chloro-1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-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

8009-9752

Molecular Formula

C26H20Cl2N2O3 (C26 H20 Cl2 N2 O3)

Compound Name

11-(6-chloro-1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

10-(6-chloro-2H-13-benzodioxol-5-yl)-14-(4-chlorophenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

O=C(CC(C1)c(cc2)ccc2Cl)C2=C1Nc(cccc1)c1NC2c(cc1OCOc1c1)c1Cl

InChI

InChI=1S/C26H20Cl2N2O3/c27-16-7-5-14(6-8-16)15-9-21-25(22(31)10-15)26(30-20-4-2-1-3-19(20)29-21)17-11-23-24(12-18(17)28)33-13-32-23/h1-8,11-12,15,26,29-30H,9-10,13H2

InChI Key

HIPSWMMSPZNITG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01655956

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

479.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.384

Distribution Coefficient, logD

6.373

Water Solubility, LogSw

-6.48

Polar Surface Area

53.592

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

8.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.20

8009-9752 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8009-9752 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8009-9752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9752
  • 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 8009-9752 available by request