8015-3464 Screening compound: 4-[10-acetyl-3-(4-fluorophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzonitrile

8015-3464 Screening compound: 4-[10-acetyl-3-(4-fluorophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzonitrile
8015-3464 Screening compound: 4-[10-acetyl-3-(4-fluorophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3464
4-[10-acetyl-3-(4-fluorophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzonitrile

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

8015-3464

Molecular Formula

C28H22FN3O2 (C28 H22 FN3 O2)

Compound Name

4-[10-acetyl-3-(4-fluorophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzonitrile

IUPAC name

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

SMILES

CC(N(C1c(cc2)ccc2C#N)c(cccc2)c2NC(CC(C2)c(cc3)ccc3F)=C1C2=O)=O

InChI

InChI=1S/C28H22FN3O2/c1-17(33)32-25-5-3-2-4-23(25)31-24-14-21(19-10-12-22(29)13-11-19)15-26(34)27(24)28(32)20-8-6-18(16-30)7-9-20/h2-13,21,28,31H,14-15H2,1H3

InChI Key

ZMLGDYGIDZKQKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03489002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.900

Distribution Coefficient, logD

4.580

Water Solubility, LogSw

-4.55

Polar Surface Area

56.689

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.90

8015-3464 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8015-3464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3464?
Check Price and Availability of 8015-3464, 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 8015-3464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3464
  • 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 8015-3464 available by request