C186-0483 Screening compound: 2-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-{3-[ethyl(3-methylphenyl)amino]propyl}acetamide

C186-0483 Screening compound: 2-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-{3-[ethyl(3-methylphenyl)amino]propyl}acetamide
C186-0483 Screening compound: 2-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-{3-[ethyl(3-methylphenyl)amino]propyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C186-0483
2-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-{3-[ethyl(3-methylphenyl)amino]propyl}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

C186-0483

Molecular Formula

C28H39N5O4S2 (C28 H39 N5 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCN(CCCNC(CN(C=Nc1c2c(S(N3CC(C)CC(C)C3)(=O)=O)c(C)s1)C2=O)=O)c1cc(C)ccc1

InChI

InChI=1S/C28H39N5O4S2/c1-6-31(23-10-7-9-19(2)14-23)12-8-11-29-24(34)17-32-18-30-27-25(28(32)35)26(22(5)38-27)39(36,37)33-15-20(3)13-21(4)16-33/h7,9-10,14,18,20-21H,6,8,11-13,15-17H2,1-5H3,(H,29,34)

InChI Key

SASZJRGUACUVAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

573.78

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.725

Distribution Coefficient, logD

3.693

Water Solubility, LogSw

-3.99

Polar Surface Area

85.122

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.60

C186-0483 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • 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 C186-0483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C186-0483?
Check Price and Availability of C186-0483, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C186-0483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C186-0483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C186-0483
  • 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 C186-0483 available by request