3533-0122 Screening compound: 7-benzoyl-11-[4-(dimethylamino)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3533-0122 Screening compound: 7-benzoyl-11-[4-(dimethylamino)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3533-0122 Screening compound: 7-benzoyl-11-[4-(dimethylamino)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 3533-0122
7-benzoyl-11-[4-(dimethylamino)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

3533-0122

Molecular Formula

C28H27N3O2 (C28 H27 N3 O2)

Compound Name

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

IUPAC name

5-benzoyl-10-[4-(dimethylamino)phenyl]-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CN(C)c1ccc(C2Nc(ccc(C(c3ccccc3)=O)c3)c3NC(CCC3)=C2C3=O)cc1

InChI

InChI=1S/C28H27N3O2/c1-31(2)21-14-11-18(12-15-21)27-26-23(9-6-10-25(26)32)29-24-17-20(13-16-22(24)30-27)28(33)19-7-4-3-5-8-19/h3-5,7-8,11-17,27,29-30H,6,9-10H2,1-2H3/t27-/m0/s1

InChI Key

GDAYKPCAGLNMJO-MHZLTWQESA-N

MDL Number (MFCD)

MFCD02049969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.120

Distribution Coefficient, logD

5.085

Water Solubility, LogSw

-5.07

Polar Surface Area

53.020

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

3533-0122 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3533-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3533-0122?
Check Price and Availability of 3533-0122, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3533-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3533-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3533-0122
  • 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 3533-0122 available by request