S437-0664 Screening compound: N-(3,5-dimethylphenyl)-1-{6-methyl-4-oxo-4H,5H-[1,2,3]triazolo[1,5-a]pyrazine-3-carbonyl}piperidine-4-carboxamide

S437-0664 Screening compound: N-(3,5-dimethylphenyl)-1-{6-methyl-4-oxo-4H,5H-[1,2,3]triazolo[1,5-a]pyrazine-3-carbonyl}piperidine-4-carboxamide
S437-0664 Screening compound: N-(3,5-dimethylphenyl)-1-{6-methyl-4-oxo-4H,5H-[1,2,3]triazolo[1,5-a]pyrazine-3-carbonyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S437-0664
N-(3,5-dimethylphenyl)-1-{6-methyl-4-oxo-4H,5H-[1,2,3]triazolo[1,5-a]pyrazine-3-carbonyl}piperidine-4-carboxamide

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

S437-0664

Molecular Formula

C21H24N6O3 (C21 H24 N6 O3)

Compound Name

N-(3,5-dimethylphenyl)-1-{6-methyl-4-oxo-4H,5H-[1,2,3]triazolo[1,5-a]pyrazine-3-carbonyl}piperidine-4-carboxamide

IUPAC name

N-(35-dimethylphenyl)-1-{6-methyl-4-oxo-4H5H-[123]triazolo[15-a]pyrazine-3-carbonyl}piperidine-4-carboxamide

SMILES

Cc1cc(NC(C(CC2)CCN2C(c2c(C(NC(C)=C3)=O)n3nn2)=O)=O)cc(C)c1

InChI

InChI=1S/C21H24N6O3/c1-12-8-13(2)10-16(9-12)23-19(28)15-4-6-26(7-5-15)21(30)17-18-20(29)22-14(3)11-27(18)25-24-17/h8-11,15H,4-7H2,1-3H3,(H,22,29)(H,23,28)

InChI Key

RPNMRALLCJTFIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29005864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.860

Distribution Coefficient, logD

0.467

Water Solubility, LogSw

-1.95

Polar Surface Area

90.298

Acid Dissociation Constant (pKa)

7.23

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

S437-0664 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S437-0664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S437-0664?
Check Price and Availability of S437-0664, 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 S437-0664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S437-0664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S437-0664
  • 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 S437-0664 available by request