8015-7717 Screening compound: 5-(3-bromophenyl)-1,2,3,4,5,12-hexahydro-1,3,12-triazatetraphene-2,4-dione

8015-7717 Screening compound: 5-(3-bromophenyl)-1,2,3,4,5,12-hexahydro-1,3,12-triazatetraphene-2,4-dione
8015-7717 Screening compound: 5-(3-bromophenyl)-1,2,3,4,5,12-hexahydro-1,3,12-triazatetraphene-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-7717
5-(3-bromophenyl)-1,2,3,4,5,12-hexahydro-1,3,12-triazatetraphene-2,4-dione

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

8015-7717

Molecular Formula

C21H14BrN3O2 (C21 H14 BrN3 O2)

Compound Name

5-(3-bromophenyl)-1,2,3,4,5,12-hexahydro-1,3,12-triazatetraphene-2,4-dione

IUPAC name

5-(3-bromophenyl)-1234512-hexahydro-1312-triazatetraphene-24-dione

SMILES

O=C(C(C(c1cccc(Br)c1)c(c1ccccc1cc1)c1N1)=C1N1)NC1=O

InChI

InChI=1S/C21H14BrN3O2/c22-13-6-3-5-12(10-13)16-17-14-7-2-1-4-11(14)8-9-15(17)23-19-18(16)20(26)25-21(27)24-19/h1-10,16H,(H3,23,24,25,26,27)/t16-/m0/s1

InChI Key

ULHBJKDNZQLHKN-INIZCTEOSA-N

MDL Number (MFCD)

MFCD05258235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.341

Distribution Coefficient, logD

4.341

Water Solubility, LogSw

-4.85

Polar Surface Area

58.480

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-6.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.80

8015-7717 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

C-Met Library (15277 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 8015-7717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-7717?
Check Price and Availability of 8015-7717, 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 8015-7717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-7717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-7717
  • 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 8015-7717 available by request