C241-0562 Screening compound: 2-[3-(4-ethoxyphenyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl]-N-[(oxolan-2-yl)methyl]acetamide

C241-0562 Screening compound: 2-[3-(4-ethoxyphenyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl]-N-[(oxolan-2-yl)methyl]acetamide
C241-0562 Screening compound: 2-[3-(4-ethoxyphenyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl]-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-0562
2-[3-(4-ethoxyphenyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-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

C241-0562

Molecular Formula

C21H23N3O5S (C21 H23 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1N(C(c(scc1)c1N1CC(NCC2OCCC2)=O)=O)C1=O

InChI

InChI=1S/C21H23N3O5S/c1-2-28-15-7-5-14(6-8-15)24-20(26)19-17(9-11-30-19)23(21(24)27)13-18(25)22-12-16-4-3-10-29-16/h5-9,11,16H,2-4,10,12-13H2,1H3,(H,22,25)/t16-/m1/s1

InChI Key

BVUYATSFNCAROK-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14734030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.5

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

1.718

Distribution Coefficient, logD

1.718

Water Solubility, LogSw

-2.59

Polar Surface Area

71.923

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

C241-0562 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 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 C241-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-0562?
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What is the minimum amount of C241-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-0562
  • 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 C241-0562 available by request