8640-0711 Screening compound: 2,2-dimethyl-10-(methylsulfanyl)-8-morpholino-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

8640-0711 Screening compound: 2,2-dimethyl-10-(methylsulfanyl)-8-morpholino-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
8640-0711 Screening compound: 2,2-dimethyl-10-(methylsulfanyl)-8-morpholino-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0711
2,2-dimethyl-10-(methylsulfanyl)-8-morpholino-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]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

8640-0711

Molecular Formula

C25H26N4O2S2 (C25 H26 N4 O2 S2)

Compound Name

2,2-dimethyl-10-(methylsulfanyl)-8-morpholino-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine

IUPAC name

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

SMILES

CC(C)(Cc1c2c3n4)OCc1c(-c1ccccc1)nc2sc3c(N1CCOCC1)nc4SC

InChI

InChI=1S/C25H26N4O2S2/c1-25(2)13-16-17(14-31-25)19(15-7-5-4-6-8-15)26-23-18(16)20-21(33-23)22(28-24(27-20)32-3)29-9-11-30-12-10-29/h4-8H,9-14H2,1-3H3

InChI Key

FNSVWGFSEUJVOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04022133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.104

Distribution Coefficient, logD

6.104

Water Solubility, LogSw

-6.02

Polar Surface Area

47.148

Acid Dissociation Constant (pKa)

20.29

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8640-0711 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8640-0711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0711?
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What is the minimum amount of 8640-0711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0711
  • 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 8640-0711 available by request