8640-0648 Screening compound: 4-{[(2,2-dimethyl-5-propyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)sulfanyl]methyl}phenyl methyl ether

8640-0648 Screening compound: 4-{[(2,2-dimethyl-5-propyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)sulfanyl]methyl}phenyl methyl ether
8640-0648 Screening compound: 4-{[(2,2-dimethyl-5-propyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)sulfanyl]methyl}phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0648
4-{[(2,2-dimethyl-5-propyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)sulfanyl]methyl}phenyl methyl ether

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

8640-0648

Molecular Formula

C25H27N3O2S2 (C25 H27 N3 O2 S2)

Compound Name

4-{[(2,2-dimethyl-5-propyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)sulfanyl]methyl}phenyl methyl ether

IUPAC name

13-{[(4-methoxyphenyl)methyl]sulfanyl}-44-dimethyl-8-propyl-5-oxa-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaene

SMILES

CCCc1c(COC(C)(C)C2)c2c(c2ncnc(SCc(cc3)ccc3OC)c2s2)c2n1

InChI

InChI=1S/C25H27N3O2S2/c1-5-6-19-18-12-30-25(2,3)11-17(18)20-21-22(32-23(20)28-19)24(27-14-26-21)31-13-15-7-9-16(29-4)10-8-15/h7-10,14H,5-6,11-13H2,1-4H3

InChI Key

WDQONJTYQAIYDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03295225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.377

Distribution Coefficient, logD

6.377

Water Solubility, LogSw

-6.04

Polar Surface Area

46.541

Acid Dissociation Constant (pKa)

21.86

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 8640-0648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0648?
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What is the minimum amount of 8640-0648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0648
  • 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 8640-0648 available by request