C796-0443 Screening compound: N-(3-methylbenzyl)-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-3-piperidinecarboxamide

C796-0443 Screening compound: N-(3-methylbenzyl)-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-3-piperidinecarboxamide
C796-0443 Screening compound: N-(3-methylbenzyl)-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-0443
N-(3-methylbenzyl)-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-3-piperidinecarboxamide

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

C796-0443

Molecular Formula

C20H23N5O2S (C20 H23 N5 O2 S)

Compound Name

N-(3-methylbenzyl)-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-3-piperidinecarboxamide

IUPAC name

1-{7-methyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-2-yl}-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide

SMILES

Cc1cccc(CNC(C(CCC2)CN2C(SC2=NC(C)=C3)=NN2C3=O)=O)c1

InChI

InChI=1S/C20H23N5O2S/c1-13-5-3-6-15(9-13)11-21-18(27)16-7-4-8-24(12-16)20-23-25-17(26)10-14(2)22-19(25)28-20/h3,5-6,9-10,16H,4,7-8,11-12H2,1-2H3,(H,21,27)/t16-/m0/s1

InChI Key

WCCYPLLZPXVEMK-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14797536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.341

Distribution Coefficient, logD

2.336

Water Solubility, LogSw

-2.68

Polar Surface Area

65.318

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

C796-0443 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Purinergic Library (3321 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C796-0443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0443?
Check Price and Availability of C796-0443, 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 C796-0443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0443
  • 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 C796-0443 available by request