6583-0173 Screening compound: 3-(allylsulfanyl)-8,8-dimethyl-11-morpholino-7,10-dihydro-8H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine

6583-0173 Screening compound: 3-(allylsulfanyl)-8,8-dimethyl-11-morpholino-7,10-dihydro-8H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine
6583-0173 Screening compound: 3-(allylsulfanyl)-8,8-dimethyl-11-morpholino-7,10-dihydro-8H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6583-0173
3-(allylsulfanyl)-8,8-dimethyl-11-morpholino-7,10-dihydro-8H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine

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

6583-0173

Molecular Formula

C22H24N6O2S2 (C22 H24 N6 O2 S2)

Compound Name

3-(allylsulfanyl)-8,8-dimethyl-11-morpholino-7,10-dihydro-8H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine

IUPAC name

1818-dimethyl-14-(morpholin-4-yl)-6-(prop-2-en-1-ylsulfanyl)-17-oxa-11-thia-357813-pentaazapentacyclo[10.8.0.0^{210}.0^{59}.0^{1520}]icosa-1(12)2(10)3681315(20)-heptaene

SMILES

CC(C)(Cc1c23)OCc1c(N1CCOCC1)nc2sc1c3ncn2c(SCC=C)nnc12

InChI

InChI=1S/C22H24N6O2S2/c1-4-9-31-21-26-25-19-17-16(23-12-28(19)21)15-13-10-22(2,3)30-11-14(13)18(24-20(15)32-17)27-5-7-29-8-6-27/h4,12H,1,5-11H2,2-3H3

InChI Key

NHELUUBIWBNWSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03009197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.067

Distribution Coefficient, logD

4.067

Water Solubility, LogSw

-4.33

Polar Surface Area

60.664

Acid Dissociation Constant (pKa)

22.10

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

6583-0173 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6583-0173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6583-0173?
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What is the minimum amount of 6583-0173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6583-0173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6583-0173
  • 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 6583-0173 available by request