6103-0056 Screening compound: 2-[5-(4-chlorophenyl)-7-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

6103-0056 Screening compound: 2-[5-(4-chlorophenyl)-7-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione
6103-0056 Screening compound: 2-[5-(4-chlorophenyl)-7-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6103-0056
2-[5-(4-chlorophenyl)-7-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2,3,3a,4,7,7a-hexahydro-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

6103-0056

Molecular Formula

C26H22ClN5O2 (C26 H22 ClN5 O2)

Compound Name

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

IUPAC name

2-[5-(4-chlorophenyl)-7-(4-methylphenyl)-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(c(cc3)ccc3Cl)=C2)cc1

InChI

InChI=1S/C26H22ClN5O2/c1-15-6-8-17(9-7-15)22-14-21(16-10-12-18(27)13-11-16)28-25-29-26(30-32(22)25)31-23(33)19-4-2-3-5-20(19)24(31)34/h2-3,6-14,19-20,22H,4-5H2,1H3,(H,28,29,30)

InChI Key

QUUZXBPGUMCVEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04127242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.95

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

5.362

Distribution Coefficient, logD

5.360

Water Solubility, LogSw

-6.14

Polar Surface Area

65.420

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

-5.71

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

23.10

6103-0056 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 6103-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6103-0056?
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What is the minimum amount of 6103-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6103-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6103-0056
  • 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 6103-0056 available by request