D351-2553 Screening compound: 2-[1-(4-fluorophenyl)-5-phenyl-1H-1,2,4-triazole-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline

D351-2553 Screening compound: 2-[1-(4-fluorophenyl)-5-phenyl-1H-1,2,4-triazole-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline
D351-2553 Screening compound: 2-[1-(4-fluorophenyl)-5-phenyl-1H-1,2,4-triazole-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound D351-2553
2-[1-(4-fluorophenyl)-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

D351-2553

Molecular Formula

C24H19FN4O (C24 H19 FN4 O)

Compound Name

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

IUPAC name

2-[1-(4-fluorophenyl)-5-phenyl-1H-124-triazole-3-carbonyl]-1234-tetrahydroisoquinoline

SMILES

O=C(c(nc1-c2ccccc2)nn1-c(cc1)ccc1F)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C24H19FN4O/c25-20-10-12-21(13-11-20)29-23(18-7-2-1-3-8-18)26-22(27-29)24(30)28-15-14-17-6-4-5-9-19(17)16-28/h1-13H,14-16H2

InChI Key

CNJOTXFXQPPXBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27581208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.44

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

4.896

Distribution Coefficient, logD

4.896

Water Solubility, LogSw

-4.89

Polar Surface Area

40.199

Acid Dissociation Constant (pKa)

26.01

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D351-2553 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D351-2553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D351-2553?
Check Price and Availability of D351-2553, 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 D351-2553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D351-2553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D351-2553
  • 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 D351-2553 available by request