C186-0415 Screening compound: 2-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-[(2-methoxyphenyl)methyl]acetamide

C186-0415 Screening compound: 2-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-[(2-methoxyphenyl)methyl]acetamide
C186-0415 Screening compound: 2-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-[(2-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C186-0415
2-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-[(2-methoxyphenyl)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

C186-0415

Molecular Formula

C24H30N4O5S2 (C24 H30 N4 O5 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-[(2-methoxyphenyl)methyl]acetamide

IUPAC name

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

SMILES

CC(CC(C)C1)CN1S(c1c(C)sc(N=CN2CC(NCc(cccc3)c3OC)=O)c1C2=O)(=O)=O

InChI

InChI=1S/C24H30N4O5S2/c1-15-9-16(2)12-28(11-15)35(31,32)22-17(3)34-23-21(22)24(30)27(14-26-23)13-20(29)25-10-18-7-5-6-8-19(18)33-4/h5-8,14-16H,9-13H2,1-4H3,(H,25,29)

InChI Key

BSMPYHVYMPENRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.66

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.957

Distribution Coefficient, logD

2.957

Water Solubility, LogSw

-3.53

Polar Surface Area

89.921

Acid Dissociation Constant (pKa)

13.42

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.80

C186-0415 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 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

References: we are preparing a list of scientific research reports with C186-0415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C186-0415?
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What is the minimum amount of C186-0415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C186-0415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C186-0415
  • 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 C186-0415 available by request