A0062920 Screening compound: ethyl 2-[(2-ethoxy-2-oxoethyl)sulfanyl]-5-methyl-4-oxo-3-(2-phenylethyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

A0062920 Screening compound: ethyl 2-[(2-ethoxy-2-oxoethyl)sulfanyl]-5-methyl-4-oxo-3-(2-phenylethyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
A0062920 Screening compound: ethyl 2-[(2-ethoxy-2-oxoethyl)sulfanyl]-5-methyl-4-oxo-3-(2-phenylethyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062920
ethyl 2-[(2-ethoxy-2-oxoethyl)sulfanyl]-5-methyl-4-oxo-3-(2-phenylethyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

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

A0062920

Molecular Formula

C22H24N2O5S2 (C22 H24 N2 O5 S2)

Compound Name

ethyl 2-[(2-ethoxy-2-oxoethyl)sulfanyl]-5-methyl-4-oxo-3-(2-phenylethyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

IUPAC name

ethyl 2-[(2-ethoxy-2-oxoethyl)sulfanyl]-5-methyl-4-oxo-3-(2-phenylethyl)-3H4H-thieno[23-d]pyrimidine-6-carboxylate

SMILES

CCOC(CSC(N1CCc2ccccc2)=Nc(sc(C(OCC)=O)c2C)c2C1=O)=O

InChI

InChI=1S/C22H24N2O5S2/c1-4-28-16(25)13-30-22-23-19-17(14(3)18(31-19)21(27)29-5-2)20(26)24(22)12-11-15-9-7-6-8-10-15/h6-10H,4-5,11-13H2,1-3H3

InChI Key

MBVZBSVAZWJNJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.274

Distribution Coefficient, logD

4.274

Water Solubility, LogSw

-4.30

Polar Surface Area

66.836

Acid Dissociation Constant (pKa)

26.28

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with A0062920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062920?
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What is the minimum amount of A0062920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062920
  • 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 A0062920 available by request