6103-0015 Screening compound: 2-[7-(4-methylphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

6103-0015 Screening compound: 2-[7-(4-methylphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
6103-0015 Screening compound: 2-[7-(4-methylphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6103-0015
2-[7-(4-methylphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-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

6103-0015

Molecular Formula

C26H23N5O2 (C26 H23 N5 O2)

Compound Name

2-[7-(4-methylphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

IUPAC name

2-[7-(4-methylphenyl)-5-phenyl-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]-233a477a-hexahydro-1H-isoindole-13-dione

SMILES

Cc1ccc(C2n3nc(N(C(C4C5CC=CC4)=O)C5=O)nc3NC(c3ccccc3)=C2)cc1

InChI

InChI=1S/C26H23N5O2/c1-16-11-13-18(14-12-16)22-15-21(17-7-3-2-4-8-17)27-25-28-26(29-31(22)25)30-23(32)19-9-5-6-10-20(19)24(30)33/h2-8,11-15,19-20,22H,9-10H2,1H3,(H,27,28,29)

InChI Key

GLDJGQKHZDOVER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04127694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

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

4.662

Distribution Coefficient, logD

4.662

Water Solubility, LogSw

-4.41

Polar Surface Area

65.420

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

-5.71

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

23.08

6103-0015 in Drug Discovery

Included in Screening Libraries

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

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 6103-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6103-0015?
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What is the minimum amount of 6103-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6103-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6103-0015
  • 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 6103-0015 available by request