3805-1546 Screening compound: 7-benzoyl-11-(4-fluoro-3-phenoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3805-1546 Screening compound: 7-benzoyl-11-(4-fluoro-3-phenoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3805-1546 Screening compound: 7-benzoyl-11-(4-fluoro-3-phenoxyphenyl)-3,3-dimethyl-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 3805-1546
7-benzoyl-11-(4-fluoro-3-phenoxyphenyl)-3,3-dimethyl-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

3805-1546

Molecular Formula

C34H29FN2O3 (C34 H29 FN2 O3)

Compound Name

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

IUPAC name

5-benzoyl-10-(4-fluoro-3-phenoxyphenyl)-1414-dimethyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CC(C)(C1)CC(Nc(cc(cc2)C(c3ccccc3)=O)c2NC2c(cc3)cc(Oc4ccccc4)c3F)=C2C1=O

InChI

InChI=1S/C34H29FN2O3/c1-34(2)19-28-31(29(38)20-34)32(22-13-15-25(35)30(18-22)40-24-11-7-4-8-12-24)37-26-16-14-23(17-27(26)36-28)33(39)21-9-5-3-6-10-21/h3-18,32,36-37H,19-20H2,1-2H3/t32-/m0/s1

InChI Key

DDPPPBAEOWRCTL-YTTGMZPUSA-N

MDL Number (MFCD)

MFCD14708745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.477

Distribution Coefficient, logD

7.428

Water Solubility, LogSw

-5.75

Polar Surface Area

57.050

Acid Dissociation Constant (pKa)

8.32

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

3805-1546 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3805-1546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3805-1546?
Check Price and Availability of 3805-1546, 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 3805-1546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3805-1546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3805-1546
  • 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 3805-1546 available by request