6188-0325 Screening compound: 3-(benzylsulfanyl)-6-(5-methyl-2-thienyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

6188-0325 Screening compound: 3-(benzylsulfanyl)-6-(5-methyl-2-thienyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6188-0325 Screening compound: 3-(benzylsulfanyl)-6-(5-methyl-2-thienyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6188-0325
3-(benzylsulfanyl)-6-(5-methyl-2-thienyl)-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

6188-0325

Molecular Formula

C22H18N4OS2 (C22 H18 N4 OS2)

Compound Name

3-(benzylsulfanyl)-6-(5-methyl-2-thienyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

IUPAC name

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

SMILES

Cc1ccc(C2Oc3nc(SCc4ccccc4)nnc3-c(cccc3)c3N2)s1

InChI

InChI=1S/C22H18N4OS2/c1-14-11-12-18(29-14)20-23-17-10-6-5-9-16(17)19-21(27-20)24-22(26-25-19)28-13-15-7-3-2-4-8-15/h2-12,20,23H,13H2,1H3/t20-/m0/s1

InChI Key

QBCOMZINFSODRD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD04231119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.138

Distribution Coefficient, logD

5.138

Water Solubility, LogSw

-5.14

Polar Surface Area

53.044

Acid Dissociation Constant (pKa)

19.91

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

6188-0325 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6188-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6188-0325?
Check Price and Availability of 6188-0325, 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 6188-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6188-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6188-0325
  • 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 6188-0325 available by request