3393-0006 Screening compound: 10-acetyl-3-[4-(diethylamino)phenyl]-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3393-0006 Screening compound: 10-acetyl-3-[4-(diethylamino)phenyl]-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3393-0006 Screening compound: 10-acetyl-3-[4-(diethylamino)phenyl]-11-phenyl-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 3393-0006
10-acetyl-3-[4-(diethylamino)phenyl]-11-phenyl-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

3393-0006

Molecular Formula

C31H33N3O2 (C31 H33 N3 O2)

Compound Name

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

IUPAC name

9-acetyl-14-[4-(diethylamino)phenyl]-10-phenyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CCN(CC)c1ccc(C(C2)CC(Nc(cccc3)c3N(C3c4ccccc4)C(C)=O)=C3C2=O)cc1

InChI

InChI=1S/C31H33N3O2/c1-4-33(5-2)25-17-15-22(16-18-25)24-19-27-30(29(36)20-24)31(23-11-7-6-8-12-23)34(21(3)35)28-14-10-9-13-26(28)32-27/h6-18,24,31-32H,4-5,19-20H2,1-3H3

InChI Key

KSXUUEVWOWFWOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01950960

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

479.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.032

Distribution Coefficient, logD

5.712

Water Solubility, LogSw

-5.56

Polar Surface Area

42.369

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.00

References: we are preparing a list of scientific research reports with 3393-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3393-0006?
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What is the minimum amount of 3393-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3393-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3393-0006
  • 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 3393-0006 available by request