C301-4040 Screening compound: 6-{[4-(diphenylmethyl)piperazin-1-yl]sulfonyl}-2-ethyl-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C301-4040 Screening compound: 6-{[4-(diphenylmethyl)piperazin-1-yl]sulfonyl}-2-ethyl-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
C301-4040 Screening compound: 6-{[4-(diphenylmethyl)piperazin-1-yl]sulfonyl}-2-ethyl-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4040
6-{[4-(diphenylmethyl)piperazin-1-yl]sulfonyl}-2-ethyl-7-methyl-5H-[1,3,4]thiadiazolo[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

C301-4040

Molecular Formula

C25H27N5O3S2 (C25 H27 N5 O3 S2)

Compound Name

6-{[4-(diphenylmethyl)piperazin-1-yl]sulfonyl}-2-ethyl-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

IUPAC name

6-{[4-(diphenylmethyl)piperazin-1-yl]sulfonyl}-2-ethyl-7-methyl-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

CCC(SC1=NC(C)=C2S(N(CC3)CCN3C(c3ccccc3)c3ccccc3)(=O)=O)=NN1C2=O

InChI

InChI=1S/C25H27N5O3S2/c1-3-21-27-30-24(31)23(18(2)26-25(30)34-21)35(32,33)29-16-14-28(15-17-29)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,22H,3,14-17H2,1-2H3

InChI Key

JOXOBZWVMNUIPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.65

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.710

Distribution Coefficient, logD

3.708

Water Solubility, LogSw

-3.78

Polar Surface Area

71.629

Acid Dissociation Constant (pKa)

23.59

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C301-4040 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-4040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4040?
Check Price and Availability of C301-4040, 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 C301-4040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4040
  • 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 C301-4040 available by request