6188-0291 Screening compound: 3-(benzylsulfanyl)-6-(6-chloro-1,3-benzodioxol-5-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

6188-0291 Screening compound: 3-(benzylsulfanyl)-6-(6-chloro-1,3-benzodioxol-5-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6188-0291 Screening compound: 3-(benzylsulfanyl)-6-(6-chloro-1,3-benzodioxol-5-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6188-0291
3-(benzylsulfanyl)-6-(6-chloro-1,3-benzodioxol-5-yl)-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

6188-0291

Molecular Formula

C24H17ClN4O3S (C24 H17 ClN4 O3 S)

Compound Name

3-(benzylsulfanyl)-6-(6-chloro-1,3-benzodioxol-5-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

IUPAC name

5-(benzylsulfanyl)-9-(6-chloro-2H-13-benzodioxol-5-yl)-8-oxa-34610-tetraazatricyclo[9.4.0.0^{27}]pentadeca-1(11)2(7)351214-hexaene

SMILES

Clc1c(C2Oc3nc(SCc4ccccc4)nnc3-c(cccc3)c3N2)cc2OCOc2c1

InChI

InChI=1S/C24H17ClN4O3S/c25-17-11-20-19(30-13-31-20)10-16(17)22-26-18-9-5-4-8-15(18)21-23(32-22)27-24(29-28-21)33-12-14-6-2-1-3-7-14/h1-11,22,26H,12-13H2/t22-/m0/s1

InChI Key

CFWGSTCAICMBKZ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02378056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.219

Distribution Coefficient, logD

5.219

Water Solubility, LogSw

-5.62

Polar Surface Area

69.141

Acid Dissociation Constant (pKa)

18.19

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

6188-0291 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6188-0291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6188-0291?
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What is the minimum amount of 6188-0291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6188-0291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6188-0291
  • 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 6188-0291 available by request