7033-0655 Screening compound: 3-[(4-methylbenzyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepine

7033-0655 Screening compound: 3-[(4-methylbenzyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepine
7033-0655 Screening compound: 3-[(4-methylbenzyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7033-0655
3-[(4-methylbenzyl)sulfanyl][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

7033-0655

Molecular Formula

C18H14N4OS (C18 H14 N4 OS)

Compound Name

3-[(4-methylbenzyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepine

IUPAC name

5-{[(4-methylphenyl)methyl]sulfanyl}-8-oxa-34610-tetraazatricyclo[9.4.0.0^{27}]pentadeca-1(15)2(7)3591113-heptaene

SMILES

Cc1ccc(CSc2nnc(-c(cccc3)c3N=CO3)c3n2)cc1

InChI

InChI=1S/C18H14N4OS/c1-12-6-8-13(9-7-12)10-24-18-20-17-16(21-22-18)14-4-2-3-5-15(14)19-11-23-17/h2-9,11H,10H2,1H3

InChI Key

KKMPOSIMXFCNPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13369948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.363

Distribution Coefficient, logD

3.363

Water Solubility, LogSw

-3.83

Polar Surface Area

50.010

Acid Dissociation Constant (pKa)

21.99

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

7033-0655 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Akt-Targeted Library (14764 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 7033-0655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7033-0655?
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What is the minimum amount of 7033-0655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7033-0655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7033-0655
  • 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 7033-0655 available by request