1348-1381 Screening compound: 3-(methylsulfanyl)-6-(4-pyridyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

1348-1381 Screening compound: 3-(methylsulfanyl)-6-(4-pyridyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
1348-1381 Screening compound: 3-(methylsulfanyl)-6-(4-pyridyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1348-1381
3-(methylsulfanyl)-6-(4-pyridyl)-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

1348-1381

Molecular Formula

C16H13N5OS (C16 H13 N5 OS)

Compound Name

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

IUPAC name

5-(methylsulfanyl)-9-(pyridin-4-yl)-8-oxa-34610-tetraazatricyclo[9.4.0.0^{27}]pentadeca-1(15)2(7)351113-hexaene

SMILES

CSc1nnc(-c(cccc2)c2NC(c2ccncc2)O2)c2n1

InChI

InChI=1S/C16H13N5OS/c1-23-16-19-15-13(20-21-16)11-4-2-3-5-12(11)18-14(22-15)10-6-8-17-9-7-10/h2-9,14,18H,1H3/t14-/m0/s1

InChI Key

HJTFIOULFYAEEG-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00615524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.471

Distribution Coefficient, logD

2.471

Water Solubility, LogSw

-2.76

Polar Surface Area

61.726

Acid Dissociation Constant (pKa)

19.01

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

1348-1381 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1348-1381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1348-1381?
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What is the minimum amount of 1348-1381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1348-1381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1348-1381
  • 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 1348-1381 available by request