8009-9566 Screening compound: 3-(4-chlorophenyl)-11-(9-ethyl-9H-carbazol-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

8009-9566 Screening compound: 3-(4-chlorophenyl)-11-(9-ethyl-9H-carbazol-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
8009-9566 Screening compound: 3-(4-chlorophenyl)-11-(9-ethyl-9H-carbazol-3-yl)-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 8009-9566
3-(4-chlorophenyl)-11-(9-ethyl-9H-carbazol-3-yl)-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

8009-9566

Molecular Formula

C33H28ClN3O (C33 H28 ClN3 O)

Compound Name

3-(4-chlorophenyl)-11-(9-ethyl-9H-carbazol-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

14-(4-chlorophenyl)-10-(9-ethyl-9H-carbazol-3-yl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CCn1c(ccc(C2Nc(cccc3)c3NC(CC(C3)c(cc4)ccc4Cl)=C2C3=O)c2)c2c2c1cccc2

InChI

InChI=1S/C33H28ClN3O/c1-2-37-29-10-6-3-7-24(29)25-17-21(13-16-30(25)37)33-32-28(35-26-8-4-5-9-27(26)36-33)18-22(19-31(32)38)20-11-14-23(34)15-12-20/h3-17,22,33,35-36H,2,18-19H2,1H3

InChI Key

HNKOYZAXJSCCRS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.06

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.253

Distribution Coefficient, logD

8.236

Water Solubility, LogSw

-6.65

Polar Surface Area

37.177

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 8009-9566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9566?
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What is the minimum amount of 8009-9566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9566
  • 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 8009-9566 available by request