C186-0392 Screening compound: N-(2-chloro-4-fluorophenyl)-2-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide

C186-0392 Screening compound: N-(2-chloro-4-fluorophenyl)-2-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide
C186-0392 Screening compound: N-(2-chloro-4-fluorophenyl)-2-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C186-0392
N-(2-chloro-4-fluorophenyl)-2-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-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

C186-0392

Molecular Formula

C22H24ClFN4O4S2 (C22 H24 ClFN4 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(CC(C)C1)CN1S(c1c(C)sc(N=CN2CC(Nc(ccc(F)c3)c3Cl)=O)c1C2=O)(=O)=O

InChI

InChI=1S/C22H24ClFN4O4S2/c1-12-6-13(2)9-28(8-12)34(31,32)20-14(3)33-21-19(20)22(30)27(11-25-21)10-18(29)26-17-5-4-15(24)7-16(17)23/h4-5,7,11-13H,6,8-10H2,1-3H3,(H,26,29)

InChI Key

GJTKBVIUGUUMGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.04

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.591

Distribution Coefficient, logD

3.585

Water Solubility, LogSw

-4.25

Polar Surface Area

80.271

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.90

C186-0392 in Drug Discovery

Included in Screening Libraries

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 C186-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C186-0392?
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What is the minimum amount of C186-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C186-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C186-0392
  • 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 C186-0392 available by request