4896-2715 Screening compound: 10-bromo-6-(2-methylphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

4896-2715 Screening compound: 10-bromo-6-(2-methylphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
4896-2715 Screening compound: 10-bromo-6-(2-methylphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-2715
10-bromo-6-(2-methylphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

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

4896-2715

Molecular Formula

C18H15BrN4OS (C18 H15 BrN4 OS)

Compound Name

10-bromo-6-(2-methylphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

IUPAC name

14-bromo-9-(2-methylphenyl)-5-(methylsulfanyl)-8-oxa-34610-tetraazatricyclo[9.4.0.0^{27}]pentadeca-1(11)2(7)351214-hexaene

SMILES

Cc1c(C2Oc3nc(SC)nnc3-c(cc(cc3)Br)c3N2)cccc1

InChI

InChI=1S/C18H15BrN4OS/c1-10-5-3-4-6-12(10)16-20-14-8-7-11(19)9-13(14)15-17(24-16)21-18(25-2)23-22-15/h3-9,16,20H,1-2H3/t16-/m1/s1

InChI Key

PCBYEKDEINCNGF-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD02222489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.965

Distribution Coefficient, logD

4.965

Water Solubility, LogSw

-4.68

Polar Surface Area

52.297

Acid Dissociation Constant (pKa)

16.61

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

4896-2715 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 4896-2715 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-2715?
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What is the minimum amount of 4896-2715 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-2715
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-2715
  • 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 4896-2715 available by request