8013-1265 Screening compound: 11-(1H-indol-3-yl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

8013-1265 Screening compound: 11-(1H-indol-3-yl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
8013-1265 Screening compound: 11-(1H-indol-3-yl)-3-(4-methylphenyl)-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 8013-1265
11-(1H-indol-3-yl)-3-(4-methylphenyl)-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

8013-1265

Molecular Formula

C28H25N3O (C28 H25 N3 O)

Compound Name

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

IUPAC name

10-(1H-indol-3-yl)-14-(4-methylphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

Cc1ccc(C(C2)CC(Nc(cccc3)c3NC3c4c[nH]c5c4cccc5)=C3C2=O)cc1

InChI

InChI=1S/C28H25N3O/c1-17-10-12-18(13-11-17)19-14-25-27(26(32)15-19)28(31-24-9-5-4-8-23(24)30-25)21-16-29-22-7-3-2-6-20(21)22/h2-13,16,19,28-31H,14-15H2,1H3

InChI Key

JCZNAMASPXULEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.53

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.989

Distribution Coefficient, logD

5.973

Water Solubility, LogSw

-5.81

Polar Surface Area

46.347

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.90

8013-1265 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

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

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8013-1265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1265?
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What is the minimum amount of 8013-1265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1265
  • 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 8013-1265 available by request