5627-0083 Screening compound: methyl 2-{[6-isopropyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate

5627-0083 Screening compound: methyl 2-{[6-isopropyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
5627-0083 Screening compound: methyl 2-{[6-isopropyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5627-0083
methyl 2-{[6-isopropyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate

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

5627-0083

Molecular Formula

C22H24N2O4S2 (C22 H24 N2 O4 S2)

Compound Name

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

IUPAC name

methyl 2-{[4-(4-methylphenyl)-3-oxo-12-(propan-2-yl)-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-5-yl]sulfanyl}acetate

SMILES

CC(C)C(C1)OCc2c1c(C(N(c1ccc(C)cc1)C(SCC(OC)=O)=N1)=O)c1s2

InChI

InChI=1S/C22H24N2O4S2/c1-12(2)16-9-15-17(10-28-16)30-20-19(15)21(26)24(14-7-5-13(3)6-8-14)22(23-20)29-11-18(25)27-4/h5-8,12,16H,9-11H2,1-4H3/t16-/m1/s1

InChI Key

OXMXHQXRPYRIIV-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD02987435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.383

Distribution Coefficient, logD

4.383

Water Solubility, LogSw

-4.46

Polar Surface Area

54.185

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

5627-0083 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 5627-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5627-0083?
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What is the minimum amount of 5627-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5627-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5627-0083
  • 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 5627-0083 available by request