8011-9870 Screening compound: 10-(3,4-dichlorobenzoyl)-11-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

8011-9870 Screening compound: 10-(3,4-dichlorobenzoyl)-11-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
8011-9870 Screening compound: 10-(3,4-dichlorobenzoyl)-11-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)-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 8011-9870
10-(3,4-dichlorobenzoyl)-11-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)-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

8011-9870

Molecular Formula

C36H32Cl2FN3O2 (C36 H32 Cl2 FN3 O2)

Compound Name

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

IUPAC name

9-(34-dichlorobenzoyl)-10-[4-(diethylamino)phenyl]-14-(4-fluorophenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CCN(CC)c1ccc(C2N(C(c(cc3)cc(Cl)c3Cl)=O)c(cccc3)c3NC(CC(C3)c(cc4)ccc4F)=C2C3=O)cc1

InChI

InChI=1S/C36H32Cl2FN3O2/c1-3-41(4-2)27-16-11-23(12-17-27)35-34-31(20-25(21-33(34)43)22-9-14-26(39)15-10-22)40-30-7-5-6-8-32(30)42(35)36(44)24-13-18-28(37)29(38)19-24/h5-19,25,35,40H,3-4,20-21H2,1-2H3

InChI Key

PKAZIMLJGRYIMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02238111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

628.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.712

Distribution Coefficient, logD

8.381

Water Solubility, LogSw

-6.52

Polar Surface Area

41.629

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

9.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

8011-9870 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8011-9870 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9870?
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What is the minimum amount of 8011-9870 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9870
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9870
  • 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 8011-9870 available by request