C096-0550 Screening compound: N-(2-ethoxyphenyl)-N-methyl-2-{6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide

C096-0550 Screening compound: N-(2-ethoxyphenyl)-N-methyl-2-{6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide
C096-0550 Screening compound: N-(2-ethoxyphenyl)-N-methyl-2-{6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C096-0550
N-(2-ethoxyphenyl)-N-methyl-2-{6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-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

C096-0550

Molecular Formula

C24H30N4O5S2 (C24 H30 N4 O5 S2)

Compound Name

N-(2-ethoxyphenyl)-N-methyl-2-{6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide

IUPAC name

N-(2-ethoxyphenyl)-N-methyl-2-{6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl}acetamide

SMILES

CCOc(cccc1)c1N(C)C(CN(C=Nc1c2c(S(N3CCC(C)CC3)(=O)=O)c(C)s1)C2=O)=O

InChI

InChI=1S/C24H30N4O5S2/c1-5-33-19-9-7-6-8-18(19)26(4)20(29)14-27-15-25-23-21(24(27)30)22(17(3)34-23)35(31,32)28-12-10-16(2)11-13-28/h6-9,15-16H,5,10-14H2,1-4H3

InChI Key

XOPNQMTXDCSLQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.66

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.639

Distribution Coefficient, logD

2.639

Water Solubility, LogSw

-3.14

Polar Surface Area

79.975

Acid Dissociation Constant (pKa)

24.02

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

C096-0550 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C096-0550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C096-0550?
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What is the minimum amount of C096-0550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C096-0550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C096-0550
  • 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 C096-0550 available by request