8640-0400 Screening compound: 6,6-dimethyl-3-(3-methylphenyl)-2-(methylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

8640-0400 Screening compound: 6,6-dimethyl-3-(3-methylphenyl)-2-(methylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
8640-0400 Screening compound: 6,6-dimethyl-3-(3-methylphenyl)-2-(methylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0400
6,6-dimethyl-3-(3-methylphenyl)-2-(methylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

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

8640-0400

Molecular Formula

C19H20N2O2S2 (C19 H20 N2 O2 S2)

Compound Name

6,6-dimethyl-3-(3-methylphenyl)-2-(methylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

IUPAC name

1212-dimethyl-4-(3-methylphenyl)-5-(methylsulfanyl)-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CC(C)(C1)OCc2c1c(C(N(c1cc(C)ccc1)C(SC)=N1)=O)c1s2

InChI

InChI=1S/C19H20N2O2S2/c1-11-6-5-7-12(8-11)21-17(22)15-13-9-19(2,3)23-10-14(13)25-16(15)20-18(21)24-4/h5-8H,9-10H2,1-4H3

InChI Key

NPIJCYGUTJGSAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03008435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.439

Distribution Coefficient, logD

4.439

Water Solubility, LogSw

-4.62

Polar Surface Area

32.951

Acid Dissociation Constant (pKa)

25.82

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with 8640-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0400?
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What is the minimum amount of 8640-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0400
  • 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 8640-0400 available by request