8018-4560 Screening compound: N-[2,2-dimethyl-10-(methylsulfanyl)-5-morpholino-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N-(3-pyridylmethyl)amine

8018-4560 Screening compound: N-[2,2-dimethyl-10-(methylsulfanyl)-5-morpholino-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N-(3-pyridylmethyl)amine
8018-4560 Screening compound: N-[2,2-dimethyl-10-(methylsulfanyl)-5-morpholino-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N-(3-pyridylmethyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4560
N-[2,2-dimethyl-10-(methylsulfanyl)-5-morpholino-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N-(3-pyridylmethyl)amine

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

8018-4560

Molecular Formula

C25H28N6O2S2 (C25 H28 N6 O2 S2)

Compound Name

N-[2,2-dimethyl-10-(methylsulfanyl)-5-morpholino-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N-(3-pyridylmethyl)amine

IUPAC name

44-dimethyl-15-(methylsulfanyl)-8-(morpholin-4-yl)-N-[(pyridin-3-yl)methyl]-5-oxa-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaen-13-amine

SMILES

CC(C)(Cc1c2c3n4)OCc1c(N1CCOCC1)nc2sc3c(NCc1cnccc1)nc4SC

InChI

InChI=1S/C25H28N6O2S2/c1-25(2)11-16-17(14-33-25)22(31-7-9-32-10-8-31)30-23-18(16)19-20(35-23)21(29-24(28-19)34-3)27-13-15-5-4-6-26-12-15/h4-6,12H,7-11,13-14H2,1-3H3,(H,27,28,29)

InChI Key

APBSYGINLIKFAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04177390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.687

Distribution Coefficient, logD

4.658

Water Solubility, LogSw

-4.38

Polar Surface Area

67.041

Acid Dissociation Constant (pKa)

17.20

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

8018-4560 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-4560 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8018-4560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4560
  • 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 8018-4560 available by request