C241-1727 Screening compound: 2-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide

C241-1727 Screening compound: 2-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide
C241-1727 Screening compound: 2-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1727
2-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)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

C241-1727

Molecular Formula

C26H26N4O5S (C26 H26 N4 O5 S)

Compound Name

2-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide

IUPAC name

2-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide

SMILES

CCOc(cc1)ccc1NC(CN(c1c(C(N2CC(NCCc3ccccc3)=O)=O)scc1)C2=O)=O

InChI

InChI=1S/C26H26N4O5S/c1-2-35-20-10-8-19(9-11-20)28-23(32)17-29-21-13-15-36-24(21)25(33)30(26(29)34)16-22(31)27-14-12-18-6-4-3-5-7-18/h3-11,13,15H,2,12,14,16-17H2,1H3,(H,27,31)(H,28,32)

InChI Key

VKQJJDLXMIVARS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.146

Distribution Coefficient, logD

3.146

Water Solubility, LogSw

-3.48

Polar Surface Area

86.871

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C241-1727 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C241-1727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1727?
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What is the minimum amount of C241-1727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1727
  • 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 C241-1727 available by request