5454-0060 Screening compound: 1-[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione

5454-0060 Screening compound: 1-[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione
5454-0060 Screening compound: 1-[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5454-0060
1-[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione

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

5454-0060

Molecular Formula

C21H16ClN5O2 (C21 H16 ClN5 O2)

Compound Name

1-[5-(4-chlorophenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione

IUPAC name

1-[5-(4-chlorophenyl)-7-phenyl-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]pyrrolidine-25-dione

SMILES

O=C(CCC1=O)N1c1nn(C(C=C(c(cc2)ccc2Cl)N2)c3ccccc3)c2n1

InChI

InChI=1S/C21H16ClN5O2/c22-15-8-6-13(7-9-15)16-12-17(14-4-2-1-3-5-14)27-20(23-16)24-21(25-27)26-18(28)10-11-19(26)29/h1-9,12,17H,10-11H2,(H,23,24,25)/t17-/m1/s1

InChI Key

RWEIRVOZDJGCAW-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03296427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.125

Distribution Coefficient, logD

3.123

Water Solubility, LogSw

-3.77

Polar Surface Area

66.054

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

-6.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

5454-0060 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5454-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5454-0060?
Check Price and Availability of 5454-0060, 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 5454-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5454-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5454-0060
  • 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 5454-0060 available by request