6753-1166 Screening compound: 1-[6-(2-methylphenyl)-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone

6753-1166 Screening compound: 1-[6-(2-methylphenyl)-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone
6753-1166 Screening compound: 1-[6-(2-methylphenyl)-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 6753-1166
1-[6-(2-methylphenyl)-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone

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

6753-1166

Molecular Formula

C24H26N4O2S (C24 H26 N4 O2 S)

Compound Name

1-[6-(2-methylphenyl)-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone

IUPAC name

1-[9-(2-methylphenyl)-5-(pentylsulfanyl)-8-oxa-34610-tetraazatricyclo[9.4.0.0^{27}]pentadeca-1(15)2(7)351113-hexaen-10-yl]ethan-1-one

SMILES

CCCCCSc1nnc(-c(cccc2)c2N(C(c2c(C)cccc2)O2)C(C)=O)c2n1

InChI

InChI=1S/C24H26N4O2S/c1-4-5-10-15-31-24-25-22-21(26-27-24)19-13-8-9-14-20(19)28(17(3)29)23(30-22)18-12-7-6-11-16(18)2/h6-9,11-14,23H,4-5,10,15H2,1-3H3/t23-/m0/s1

InChI Key

GVSDJENQEQQQKW-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14712033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.685

Distribution Coefficient, logD

5.685

Water Solubility, LogSw

-5.37

Polar Surface Area

54.639

Acid Dissociation Constant (pKa)

19.99

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

6753-1166 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 6753-1166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6753-1166?
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What is the minimum amount of 6753-1166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6753-1166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6753-1166
  • 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 6753-1166 available by request