C242-0054 Screening compound: N-(butan-2-yl)-2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetamide

C242-0054 Screening compound: N-(butan-2-yl)-2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetamide
C242-0054 Screening compound: N-(butan-2-yl)-2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C242-0054
N-(butan-2-yl)-2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]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

C242-0054

Molecular Formula

C22H27N3O4S (C22 H27 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)NC(CN(c(sc(C)c1C)c1C(N1c(cc2)ccc2OCC)=O)C1=O)=O

InChI

InChI=1S/C22H27N3O4S/c1-6-13(3)23-18(26)12-24-21-19(14(4)15(5)30-21)20(27)25(22(24)28)16-8-10-17(11-9-16)29-7-2/h8-11,13H,6-7,12H2,1-5H3,(H,23,26)/t13-/m0/s1

InChI Key

PRKPKYYKODPEBW-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14734952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.424

Distribution Coefficient, logD

3.424

Water Solubility, LogSw

-3.79

Polar Surface Area

62.415

Acid Dissociation Constant (pKa)

16.24

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

C242-0054 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C242-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C242-0054?
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What is the minimum amount of C242-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C242-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C242-0054
  • 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 C242-0054 available by request