5236-0283 Screening compound: 11-[4-(dimethylamino)phenyl]-3-phenyl-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

5236-0283 Screening compound: 11-[4-(dimethylamino)phenyl]-3-phenyl-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
5236-0283 Screening compound: 11-[4-(dimethylamino)phenyl]-3-phenyl-10-propionyl-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 5236-0283
11-[4-(dimethylamino)phenyl]-3-phenyl-10-propionyl-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

5236-0283

Molecular Formula

C30H31N3O2 (C30 H31 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCC(N(C1c(cc2)ccc2N(C)C)c(cccc2)c2NC(CC(C2)c3ccccc3)=C1C2=O)=O

InChI

InChI=1S/C30H31N3O2/c1-4-28(35)33-26-13-9-8-12-24(26)31-25-18-22(20-10-6-5-7-11-20)19-27(34)29(25)30(33)21-14-16-23(17-15-21)32(2)3/h5-17,22,30-31H,4,18-19H2,1-3H3

InChI Key

KHIYDTVPGDTEBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03290145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.868

Distribution Coefficient, logD

5.548

Water Solubility, LogSw

-5.53

Polar Surface Area

41.442

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.70

5236-0283 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5236-0283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5236-0283?
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What is the minimum amount of 5236-0283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5236-0283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5236-0283
  • 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 5236-0283 available by request