6583-0166 Screening compound: 3-[(2,2-dimethyl-5-morpholino-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8-yl)amino]-1-propanol

6583-0166 Screening compound: 3-[(2,2-dimethyl-5-morpholino-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8-yl)amino]-1-propanol
6583-0166 Screening compound: 3-[(2,2-dimethyl-5-morpholino-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8-yl)amino]-1-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6583-0166
3-[(2,2-dimethyl-5-morpholino-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8-yl)amino]-1-propanol

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

6583-0166

Molecular Formula

C20H26N6O3S (C20 H26 N6 O3 S)

Compound Name

3-[(2,2-dimethyl-5-morpholino-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8-yl)amino]-1-propanol

IUPAC name

3-{[44-dimethyl-8-(morpholin-4-yl)-5-oxa-11-thia-9141516-tetraazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaen-13-yl]amino}propan-1-ol

SMILES

CC1(C)OCc2c(N3CCOCC3)nc3sc4c(NCCCO)nnnc4c3c2C1

InChI

InChI=1S/C20H26N6O3S/c1-20(2)10-12-13(11-29-20)18(26-5-8-28-9-6-26)22-19-14(12)15-16(30-19)17(24-25-23-15)21-4-3-7-27/h27H,3-11H2,1-2H3,(H,21,23,24)

InChI Key

TTYHARLZGUVAOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02241826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.411

Distribution Coefficient, logD

2.411

Water Solubility, LogSw

-2.26

Polar Surface Area

91.883

Acid Dissociation Constant (pKa)

15.79

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

6583-0166 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

C-Met Library (15277 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6583-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6583-0166?
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What is the minimum amount of 6583-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6583-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6583-0166
  • 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 6583-0166 available by request