C186-0418 Screening compound: 5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-3-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one

C186-0418 Screening compound: 5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-3-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one
C186-0418 Screening compound: 5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-3-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C186-0418
5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-3-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one

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

C186-0418

Molecular Formula

C26H32N6O6S2 (C26 H32 N6 O6 S2)

Compound Name

5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-3-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one

IUPAC name

5-[(35-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-3-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

CC(CC(C)C1)CN1S(c1c(C)sc(N=CN2CC(N(CC3)CCN3c(cc3)ccc3[N+]([O-])=O)=O)c1C2=O)(=O)=O

InChI

InChI=1S/C26H32N6O6S2/c1-17-12-18(2)14-31(13-17)40(37,38)24-19(3)39-25-23(24)26(34)30(16-27-25)15-22(33)29-10-8-28(9-11-29)20-4-6-21(7-5-20)32(35)36/h4-7,16-18H,8-15H2,1-3H3

InChI Key

UJSJHGFCWGJNCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

588.71

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.790

Distribution Coefficient, logD

2.790

Water Solubility, LogSw

-3.30

Polar Surface Area

110.853

Acid Dissociation Constant (pKa)

25.38

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

C186-0418 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

MCL1 Targeted Library (12200 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C186-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C186-0418?
Check Price and Availability of C186-0418, 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 C186-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C186-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C186-0418
  • 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 C186-0418 available by request