4780-0024 Screening compound: 10-acetyl-3-(4-methylphenyl)-11-(3-pyridyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

4780-0024 Screening compound: 10-acetyl-3-(4-methylphenyl)-11-(3-pyridyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
4780-0024 Screening compound: 10-acetyl-3-(4-methylphenyl)-11-(3-pyridyl)-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 4780-0024
10-acetyl-3-(4-methylphenyl)-11-(3-pyridyl)-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

4780-0024

Molecular Formula

C27H25N3O2 (C27 H25 N3 O2)

Compound Name

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

IUPAC name

9-acetyl-14-(4-methylphenyl)-10-(pyridin-3-yl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CC(N(C1c2cnccc2)c(cccc2)c2NC(CC(C2)c3ccc(C)cc3)=C1C2=O)=O

InChI

InChI=1S/C27H25N3O2/c1-17-9-11-19(12-10-17)21-14-23-26(25(32)15-21)27(20-6-5-13-28-16-20)30(18(2)31)24-8-4-3-7-22(24)29-23/h3-13,16,21,27,29H,14-15H2,1-2H3

InChI Key

ONYKRRVUHYDZCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03288541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.476

Distribution Coefficient, logD

4.215

Water Solubility, LogSw

-4.00

Polar Surface Area

49.150

Acid Dissociation Constant (pKa)

7.48

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

4780-0024 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4780-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4780-0024?
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What is the minimum amount of 4780-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4780-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4780-0024
  • 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 4780-0024 available by request