C186-0501 Screening compound: N-(5-chloro-2-methylphenyl)-2-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-methylacetamide

C186-0501 Screening compound: N-(5-chloro-2-methylphenyl)-2-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-methylacetamide
C186-0501 Screening compound: N-(5-chloro-2-methylphenyl)-2-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C186-0501
N-(5-chloro-2-methylphenyl)-2-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-methylacetamide

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

C186-0501

Molecular Formula

C24H29ClN4O4S2 (C24 H29 ClN4 O4 S2)

Compound Name

N-(5-chloro-2-methylphenyl)-2-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-methylacetamide

IUPAC name

N-(5-chloro-2-methylphenyl)-2-{5-[(35-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl}-N-methylacetamide

SMILES

CC(CC(C)C1)CN1S(c1c(C)sc(N=CN2CC(N(C)c3c(C)ccc(Cl)c3)=O)c1C2=O)(=O)=O

InChI

InChI=1S/C24H29ClN4O4S2/c1-14-8-15(2)11-29(10-14)35(32,33)22-17(4)34-23-21(22)24(31)28(13-26-23)12-20(30)27(5)19-9-18(25)7-6-16(19)3/h6-7,9,13-15H,8,10-12H2,1-5H3

InChI Key

BBWGBDPIIDARHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.1

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.942

Distribution Coefficient, logD

3.942

Water Solubility, LogSw

-4.64

Polar Surface Area

72.631

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.80

C186-0501 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Adenosine Receptors Targeted Library (19896 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 C186-0501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C186-0501?
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What is the minimum amount of C186-0501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C186-0501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C186-0501
  • 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 C186-0501 available by request