C186-0394 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-methoxyphenyl)acetamide

C186-0394 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-methoxyphenyl)acetamide
C186-0394 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-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C186-0394
2-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-(3-methoxyphenyl)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

C186-0394

Molecular Formula

C23H28N4O5S2 (C23 H28 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-(3-methoxyphenyl)acetamide

IUPAC name

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

SMILES

CC(CC(C)C1)CN1S(c1c(C)sc(N=CN2CC(Nc3cc(OC)ccc3)=O)c1C2=O)(=O)=O

InChI

InChI=1S/C23H28N4O5S2/c1-14-8-15(2)11-27(10-14)34(30,31)21-16(3)33-22-20(21)23(29)26(13-24-22)12-19(28)25-17-6-5-7-18(9-17)32-4/h5-7,9,13-15H,8,10-12H2,1-4H3,(H,25,28)

InChI Key

MEVWMBNNIGBVRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.224

Distribution Coefficient, logD

3.224

Water Solubility, LogSw

-3.74

Polar Surface Area

88.512

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.50

C186-0394 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C186-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C186-0394?
Check Price and Availability of C186-0394, 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 C186-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C186-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C186-0394
  • 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 C186-0394 available by request