C242-0705 Screening compound: 2-[3-(4-ethylphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]-N-[(oxolan-2-yl)methyl]acetamide

C242-0705 Screening compound: 2-[3-(4-ethylphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]-N-[(oxolan-2-yl)methyl]acetamide
C242-0705 Screening compound: 2-[3-(4-ethylphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C242-0705
2-[3-(4-ethylphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]-N-[(oxolan-2-yl)methyl]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

C242-0705

Molecular Formula

C23H27N3O4S (C23 H27 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1N(C(c1c(N2CC(NCC3OCCC3)=O)sc(C)c1C)=O)C2=O

InChI

InChI=1S/C23H27N3O4S/c1-4-16-7-9-17(10-8-16)26-21(28)20-14(2)15(3)31-22(20)25(23(26)29)13-19(27)24-12-18-6-5-11-30-18/h7-10,18H,4-6,11-13H2,1-3H3,(H,24,27)/t18-/m1/s1

InChI Key

KEMDEVPTECXLKL-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14735025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.969

Distribution Coefficient, logD

2.969

Water Solubility, LogSw

-3.23

Polar Surface Area

64.233

Acid Dissociation Constant (pKa)

14.69

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

C242-0705 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C242-0705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C242-0705?
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What is the minimum amount of C242-0705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C242-0705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C242-0705
  • 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 C242-0705 available by request