5586-1948 Screening compound: 6-ethyl-6-methyl-3-(2-methylphenyl)-2-thioxo-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

5586-1948 Screening compound: 6-ethyl-6-methyl-3-(2-methylphenyl)-2-thioxo-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
5586-1948 Screening compound: 6-ethyl-6-methyl-3-(2-methylphenyl)-2-thioxo-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5586-1948
6-ethyl-6-methyl-3-(2-methylphenyl)-2-thioxo-1,2,3,5,6,8-hexahydro-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

5586-1948

Molecular Formula

C19H20N2O2S2 (C19 H20 N2 O2 S2)

Compound Name

6-ethyl-6-methyl-3-(2-methylphenyl)-2-thioxo-1,2,3,5,6,8-hexahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

IUPAC name

12-ethyl-12-methyl-4-(2-methylphenyl)-5-sulfanylidene-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-3-one

SMILES

CCC(C)(C1)OCc2c1c(C(N(c1c(C)cccc1)C(N1)=S)=O)c1s2

InChI

InChI=1S/C19H20N2O2S2/c1-4-19(3)9-12-14(10-23-19)25-16-15(12)17(22)21(18(24)20-16)13-8-6-5-7-11(13)2/h5-8H,4,9-10H2,1-3H3,(H,20,24)/t19-/m0/s1

InChI Key

TWSTXAWADVYCCV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03812716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.466

Distribution Coefficient, logD

3.366

Water Solubility, LogSw

-4.51

Polar Surface Area

34.120

Acid Dissociation Constant (pKa)

6.34

Base Dissociation Constant (pKb)

-12.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

5586-1948 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5586-1948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5586-1948?
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What is the minimum amount of 5586-1948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5586-1948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5586-1948
  • 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 5586-1948 available by request