8640-0493 Screening compound: N-(2,2-dimethyl-5-morpholino-1,4-dihydro-2H-thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N-phenethylamine

8640-0493 Screening compound: N-(2,2-dimethyl-5-morpholino-1,4-dihydro-2H-thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N-phenethylamine
8640-0493 Screening compound: N-(2,2-dimethyl-5-morpholino-1,4-dihydro-2H-thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N-phenethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0493
N-(2,2-dimethyl-5-morpholino-1,4-dihydro-2H-thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N-phenethylamine

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

8640-0493

Molecular Formula

C26H29N5OS2 (C26 H29 N5 OS2)

Compound Name

N-(2,2-dimethyl-5-morpholino-1,4-dihydro-2H-thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N-phenethylamine

IUPAC name

44-dimethyl-8-(morpholin-4-yl)-N-(2-phenylethyl)-511-dithia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaen-13-amine

SMILES

CC(C)(C1)SCc(c(N2CCOCC2)n2)c1c1c2sc2c(NCCc3ccccc3)ncnc12

InChI

InChI=1S/C26H29N5OS2/c1-26(2)14-18-19(15-33-26)24(31-10-12-32-13-11-31)30-25-20(18)21-22(34-25)23(29-16-28-21)27-9-8-17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3,(H,27,28,29)

InChI Key

FSHLNADXMCIPIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03674060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.68

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.040

Distribution Coefficient, logD

6.004

Water Solubility, LogSw

-5.96

Polar Surface Area

52.185

Acid Dissociation Constant (pKa)

18.07

Base Dissociation Constant (pKb)

6.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

8640-0493 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8640-0493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0493?
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What is the minimum amount of 8640-0493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0493
  • 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 8640-0493 available by request