8014-6693 Screening compound: 10-benzyl-3-[4-(tert-butyl)phenyl]-11-(2,4-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

8014-6693 Screening compound: 10-benzyl-3-[4-(tert-butyl)phenyl]-11-(2,4-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
8014-6693 Screening compound: 10-benzyl-3-[4-(tert-butyl)phenyl]-11-(2,4-dichlorophenyl)-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 8014-6693
10-benzyl-3-[4-(tert-butyl)phenyl]-11-(2,4-dichlorophenyl)-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

8014-6693

Molecular Formula

C36H34Cl2N2O (C36 H34 Cl2 N2 O)

Compound Name

10-benzyl-3-[4-(tert-butyl)phenyl]-11-(2,4-dichlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

9-benzyl-14-(4-tert-butylphenyl)-10-(24-dichlorophenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CC(C)(C)c1ccc(C(C2)CC(Nc(cccc3)c3N(Cc3ccccc3)C3c(ccc(Cl)c4)c4Cl)=C3C2=O)cc1

InChI

InChI=1S/C36H34Cl2N2O/c1-36(2,3)26-15-13-24(14-16-26)25-19-31-34(33(41)20-25)35(28-18-17-27(37)21-29(28)38)40(22-23-9-5-4-6-10-23)32-12-8-7-11-30(32)39-31/h4-18,21,25,35,39H,19-20,22H2,1-3H3

InChI Key

FLWSYWGXQYTHEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03613101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

581.58

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

10.486

Distribution Coefficient, logD

10.471

Water Solubility, LogSw

-6.40

Polar Surface Area

26.309

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8014-6693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-6693?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-6693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-6693
  • 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 8014-6693 available by request