C301-5311 Screening compound: 6-[(4-benzylpiperidin-1-yl)sulfonyl]-3,7-dimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C301-5311 Screening compound: 6-[(4-benzylpiperidin-1-yl)sulfonyl]-3,7-dimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
C301-5311 Screening compound: 6-[(4-benzylpiperidin-1-yl)sulfonyl]-3,7-dimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5311
6-[(4-benzylpiperidin-1-yl)sulfonyl]-3,7-dimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-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

C301-5311

Molecular Formula

C20H23N3O3S2 (C20 H23 N3 O3 S2)

Compound Name

6-[(4-benzylpiperidin-1-yl)sulfonyl]-3,7-dimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

IUPAC name

6-[(4-benzylpiperidin-1-yl)sulfonyl]-37-dimethyl-5H-[13]thiazolo[32-a]pyrimidin-5-one

SMILES

CC(N1C2=O)=CSC1=NC(C)=C2S(N1CCC(Cc2ccccc2)CC1)(=O)=O

InChI

InChI=1S/C20H23N3O3S2/c1-14-13-27-20-21-15(2)18(19(24)23(14)20)28(25,26)22-10-8-17(9-11-22)12-16-6-4-3-5-7-16/h3-7,13,17H,8-12H2,1-2H3

InChI Key

CNTOQZUFFPEJRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.047

Distribution Coefficient, logD

3.047

Water Solubility, LogSw

-3.30

Polar Surface Area

56.209

Acid Dissociation Constant (pKa)

25.46

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C301-5311 in Drug Discovery

Included in Screening Libraries

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

Purinergic Library (3321 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Ion Channels
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-5311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5311?
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What is the minimum amount of C301-5311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5311
  • 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 C301-5311 available by request