1927-6751 Screening compound: 2-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propyl ether

1927-6751 Screening compound: 2-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propyl ether
1927-6751 Screening compound: 2-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 1927-6751
2-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propyl ether

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

1927-6751

Molecular Formula

C20H20N4O2S (C20 H20 N4 O2 S)

Compound Name

2-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propyl ether

IUPAC name

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

SMILES

CCCOc1c(C2Oc3nc(SC)nnc3-c(cccc3)c3N2)cccc1

InChI

InChI=1S/C20H20N4O2S/c1-3-12-25-16-11-7-5-9-14(16)18-21-15-10-6-4-8-13(15)17-19(26-18)22-20(27-2)24-23-17/h4-11,18,21H,3,12H2,1-2H3/t18-/m0/s1

InChI Key

RNBBMVPKMPWMHJ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD00998067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.817

Distribution Coefficient, logD

4.817

Water Solubility, LogSw

-4.60

Polar Surface Area

59.802

Acid Dissociation Constant (pKa)

18.19

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

1927-6751 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 1927-6751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1927-6751?
Check Price and Availability of 1927-6751, 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 1927-6751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1927-6751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1927-6751
  • 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 1927-6751 available by request