8640-0709 Screening compound: 1-{[2,2-dimethyl-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]amino}-2-propanol

8640-0709 Screening compound: 1-{[2,2-dimethyl-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]amino}-2-propanol
8640-0709 Screening compound: 1-{[2,2-dimethyl-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]amino}-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0709
1-{[2,2-dimethyl-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]amino}-2-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

8640-0709

Molecular Formula

C24H26N4O2S2 (C24 H26 N4 O2 S2)

Compound Name

1-{[2,2-dimethyl-10-(methylsulfanyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]amino}-2-propanol

IUPAC name

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

SMILES

CC(CNc1c2sc3nc(-c4ccccc4)c(COC(C)(C)C4)c4c3c2nc(SC)n1)O

InChI

InChI=1S/C24H26N4O2S2/c1-13(29)11-25-21-20-19(27-23(28-21)31-4)17-15-10-24(2,3)30-12-16(15)18(26-22(17)32-20)14-8-6-5-7-9-14/h5-9,13,29H,10-12H2,1-4H3,(H,25,27,28)/t13-/m0/s1

InChI Key

IUFKJNGSKYZJLQ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD04017629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.334

Distribution Coefficient, logD

5.334

Water Solubility, LogSw

-5.56

Polar Surface Area

63.478

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

8640-0709 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 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 8640-0709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0709?
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What is the minimum amount of 8640-0709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0709
  • 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 8640-0709 available by request