8640-0302 Screening compound: 4-({[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}methyl)phenyl isopropyl ether

8640-0302 Screening compound: 4-({[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}methyl)phenyl isopropyl ether
8640-0302 Screening compound: 4-({[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}methyl)phenyl isopropyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0302
4-({[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}methyl)phenyl isopropyl 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

8640-0302

Molecular Formula

C23H28N2O2S3 (C23 H28 N2 O2 S3)

Compound Name

4-({[6-ethyl-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}methyl)phenyl isopropyl ether

IUPAC name

12-ethyl-12-methyl-5-(methylsulfanyl)-3-({[4-(propan-2-yloxy)phenyl]methyl}sulfanyl)-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraene

SMILES

CCC(C)(C1)OCc(sc2nc(SC)n3)c1c2c3SCc(cc1)ccc1OC(C)C

InChI

InChI=1S/C23H28N2O2S3/c1-6-23(4)11-17-18(12-26-23)30-21-19(17)20(24-22(25-21)28-5)29-13-15-7-9-16(10-8-15)27-14(2)3/h7-10,14H,6,11-13H2,1-5H3/t23-/m0/s1

InChI Key

FKVDAIDGTYRTPT-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD04185591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.69

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.855

Distribution Coefficient, logD

6.855

Water Solubility, LogSw

-6.15

Polar Surface Area

33.111

Acid Dissociation Constant (pKa)

23.48

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

References: we are preparing a list of scientific research reports with 8640-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0302?
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What is the minimum amount of 8640-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0302
  • 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 8640-0302 available by request