8013-1634 Screening compound: 1-(4-bromophenyl)-1,2,3,4-tetrahydro-4,7-phenanthrolin-3-one

8013-1634 Screening compound: 1-(4-bromophenyl)-1,2,3,4-tetrahydro-4,7-phenanthrolin-3-one
8013-1634 Screening compound: 1-(4-bromophenyl)-1,2,3,4-tetrahydro-4,7-phenanthrolin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1634
1-(4-bromophenyl)-1,2,3,4-tetrahydro-4,7-phenanthrolin-3-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

8013-1634

Molecular Formula

C18H13BrN2O (C18 H13 BrN2 O)

Compound Name

1-(4-bromophenyl)-1,2,3,4-tetrahydro-4,7-phenanthrolin-3-one

IUPAC name

1-(4-bromophenyl)-1234-tetrahydro-47-phenanthrolin-3-one

SMILES

O=C(CC1c(cc2)ccc2Br)Nc2c1c1cccnc1cc2

InChI

InChI=1S/C18H13BrN2O/c19-12-5-3-11(4-6-12)14-10-17(22)21-16-8-7-15-13(18(14)16)2-1-9-20-15/h1-9,14H,10H2,(H,21,22)/t14-/m0/s1

InChI Key

VQGFWOCUHCTBMP-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03409464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.22

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.791

Distribution Coefficient, logD

3.791

Water Solubility, LogSw

-4.26

Polar Surface Area

33.550

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

8013-1634 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

BRD4 Targeted Library (4534 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Others
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-1634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1634?
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What is the minimum amount of 8013-1634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1634
  • 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 8013-1634 available by request