3805-1502 Screening compound: 7-benzoyl-11-(4-fluoro-3-phenoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3805-1502 Screening compound: 7-benzoyl-11-(4-fluoro-3-phenoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3805-1502 Screening compound: 7-benzoyl-11-(4-fluoro-3-phenoxyphenyl)-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 3805-1502
7-benzoyl-11-(4-fluoro-3-phenoxyphenyl)-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

3805-1502

Molecular Formula

C32H25FN2O3 (C32 H25 FN2 O3)

Compound Name

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

SMILES

O=C(c1ccccc1)c(cc1)cc2c1NC(c(cc1)cc(Oc3ccccc3)c1F)C(C(CCC1)=O)=C1N2

InChI

InChI=1S/C32H25FN2O3/c33-24-16-14-21(19-29(24)38-23-10-5-2-6-11-23)31-30-26(12-7-13-28(30)36)34-27-18-22(15-17-25(27)35-31)32(37)20-8-3-1-4-9-20/h1-6,8-11,14-19,31,34-35H,7,12-13H2/t31-/m0/s1

InChI Key

FABFMDSWQYJSTL-HKBQPEDESA-N

MDL Number (MFCD)

MFCD08051104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.56

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

6.872

Distribution Coefficient, logD

6.851

Water Solubility, LogSw

-6.27

Polar Surface Area

57.050

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

3805-1502 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • 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 3805-1502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3805-1502?
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What is the minimum amount of 3805-1502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3805-1502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3805-1502
  • 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 3805-1502 available by request