4469-0553 Screening compound: methyl 2-[(6-ethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate

4469-0553 Screening compound: methyl 2-[(6-ethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
4469-0553 Screening compound: methyl 2-[(6-ethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4469-0553
methyl 2-[(6-ethyl-4-oxo-3-phenyl-3,4-dihydrothieno[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

4469-0553

Molecular Formula

C17H16N2O3S2 (C17 H16 N2 O3 S2)

Compound Name

methyl 2-[(6-ethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate

IUPAC name

methyl 2-({6-ethyl-4-oxo-3-phenyl-3H4H-thieno[23-d]pyrimidin-2-yl}sulfanyl)acetate

SMILES

CCc1cc(C(N(c2ccccc2)C(SCC(OC)=O)=N2)=O)c2s1

InChI

InChI=1S/C17H16N2O3S2/c1-3-12-9-13-15(24-12)18-17(23-10-14(20)22-2)19(16(13)21)11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3

InChI Key

LJSMIOQUPWFFET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01044517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.158

Distribution Coefficient, logD

3.158

Water Solubility, LogSw

-3.37

Polar Surface Area

45.912

Acid Dissociation Constant (pKa)

29.30

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

4469-0553 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4469-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4469-0553?
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What is the minimum amount of 4469-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4469-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4469-0553
  • 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 4469-0553 available by request