D351-2902 Screening compound: 2-[1-(2-methylphenyl)-5-phenyl-1H-1,2,4-triazole-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline

D351-2902 Screening compound: 2-[1-(2-methylphenyl)-5-phenyl-1H-1,2,4-triazole-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline
D351-2902 Screening compound: 2-[1-(2-methylphenyl)-5-phenyl-1H-1,2,4-triazole-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound D351-2902
2-[1-(2-methylphenyl)-5-phenyl-1H-1,2,4-triazole-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline

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

D351-2902

Molecular Formula

C25H22N4O (C25 H22 N4 O)

Compound Name

2-[1-(2-methylphenyl)-5-phenyl-1H-1,2,4-triazole-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[1-(2-methylphenyl)-5-phenyl-1H-124-triazole-3-carbonyl]-1234-tetrahydroisoquinoline

SMILES

Cc(cccc1)c1-n1nc(C(N(CC2)Cc3c2cccc3)=O)nc1-c1ccccc1

InChI

InChI=1S/C25H22N4O/c1-18-9-5-8-14-22(18)29-24(20-11-3-2-4-12-20)26-23(27-29)25(30)28-16-15-19-10-6-7-13-21(19)17-28/h2-14H,15-17H2,1H3

InChI Key

FCMPFMKGFZEXBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27581410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.252

Distribution Coefficient, logD

5.252

Water Solubility, LogSw

-5.16

Polar Surface Area

39.898

Acid Dissociation Constant (pKa)

26.01

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

D351-2902 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D351-2902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D351-2902?
Check Price and Availability of D351-2902, 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 D351-2902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D351-2902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D351-2902
  • 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 D351-2902 available by request