6103-0012 Screening compound: 2-[7-(4-methylphenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione

6103-0012 Screening compound: 2-[7-(4-methylphenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione
6103-0012 Screening compound: 2-[7-(4-methylphenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6103-0012
2-[7-(4-methylphenyl)-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2,3-dihydro-1H-isoindole-1,3-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

6103-0012

Molecular Formula

C26H19N5O2 (C26 H19 N5 O2)

Compound Name

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

IUPAC name

2-[7-(4-methylphenyl)-5-phenyl-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]-23-dihydro-1H-isoindole-13-dione

SMILES

Cc1ccc(C2n3nc(N(C(c4c5cccc4)=O)C5=O)nc3NC(c3ccccc3)=C2)cc1

InChI

InChI=1S/C26H19N5O2/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/h2-15,22H,1H3,(H,27,28,29)/t22-/m0/s1

InChI Key

ATYJEOIZKDZUDH-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14711188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.47

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

5.275

Distribution Coefficient, logD

5.270

Water Solubility, LogSw

-5.29

Polar Surface Area

65.227

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

-5.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

7.70

References: we are preparing a list of scientific research reports with 6103-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6103-0012?
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What is the minimum amount of 6103-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6103-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6103-0012
  • 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 6103-0012 available by request