C242-0080 Screening compound: 2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide

C242-0080 Screening compound: 2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
C242-0080 Screening compound: 2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C242-0080
2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide

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

C242-0080

Molecular Formula

C25H25N3O5S (C25 H25 N3 O5 S)

Compound Name

2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide

IUPAC name

2-[3-(4-ethoxyphenyl)-56-dimethyl-24-dioxo-1H2H3H4H-thieno[23-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide

SMILES

CCOc(cc1)ccc1N(C(c1c(N2CC(Nc(cc3)ccc3OC)=O)sc(C)c1C)=O)C2=O

InChI

InChI=1S/C25H25N3O5S/c1-5-33-20-12-8-18(9-13-20)28-23(30)22-15(2)16(3)34-24(22)27(25(28)31)14-21(29)26-17-6-10-19(32-4)11-7-17/h6-13H,5,14H2,1-4H3,(H,26,29)

InChI Key

IXSAECUUHIBJQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.356

Distribution Coefficient, logD

4.356

Water Solubility, LogSw

-4.34

Polar Surface Area

68.924

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with C242-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C242-0080?
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What is the minimum amount of C242-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C242-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C242-0080
  • 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 C242-0080 available by request