5586-1929 Screening compound: 2-{[6,6-dimethyl-3-(2-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid

5586-1929 Screening compound: 2-{[6,6-dimethyl-3-(2-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid
5586-1929 Screening compound: 2-{[6,6-dimethyl-3-(2-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5586-1929
2-{[6,6-dimethyl-3-(2-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid

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

5586-1929

Molecular Formula

C20H20N2O4S2 (C20 H20 N2 O4 S2)

Compound Name

2-{[6,6-dimethyl-3-(2-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid

IUPAC name

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

SMILES

CC(C)(C1)OCc2c1c(C(N(c1c(C)cccc1)C(SCC(O)=O)=N1)=O)c1s2

InChI

InChI=1S/C20H20N2O4S2/c1-11-6-4-5-7-13(11)22-18(25)16-12-8-20(2,3)26-9-14(12)28-17(16)21-19(22)27-10-15(23)24/h4-7H,8-10H2,1-3H3,(H,23,24)

InChI Key

ZYPWZZISSXYBOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02986160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.383

Distribution Coefficient, logD

0.803

Water Solubility, LogSw

-3.87

Polar Surface Area

61.034

Acid Dissociation Constant (pKa)

4.82

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

5586-1929 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5586-1929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5586-1929?
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What is the minimum amount of 5586-1929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5586-1929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5586-1929
  • 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 5586-1929 available by request