C200-5048 Screening compound: 4-[7-(4-chlorophenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(pyridin-3-yl)methyl]butanamide

C200-5048 Screening compound: 4-[7-(4-chlorophenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(pyridin-3-yl)methyl]butanamide
C200-5048 Screening compound: 4-[7-(4-chlorophenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(pyridin-3-yl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-5048
4-[7-(4-chlorophenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(pyridin-3-yl)methyl]butanamide

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

C200-5048

Molecular Formula

C21H19ClN6O2 (C21 H19 ClN6 O2)

Compound Name

4-[7-(4-chlorophenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(pyridin-3-yl)methyl]butanamide

IUPAC name

4-[7-(4-chlorophenyl)-8-oxo-7H8H-[124]triazolo[43-a]pyrazin-3-yl]-N-[(pyridin-3-yl)methyl]butanamide

SMILES

O=C(CCCc1nnc2n1C=CN(c(cc1)ccc1Cl)C2=O)NCc1cnccc1

InChI

InChI=1S/C21H19ClN6O2/c22-16-6-8-17(9-7-16)27-11-12-28-18(25-26-20(28)21(27)30)4-1-5-19(29)24-14-15-3-2-10-23-13-15/h2-3,6-13H,1,4-5,14H2,(H,24,29)

InChI Key

BFJYHLIHXFWJEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.276

Distribution Coefficient, logD

0.273

Water Solubility, LogSw

-1.91

Polar Surface Area

73.086

Acid Dissociation Constant (pKa)

13.81

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.05

C200-5048 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C200-5048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5048?
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What is the minimum amount of C200-5048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5048
  • 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 C200-5048 available by request