D351-2825 Screening compound: 2-[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-1H-1,2,4-triazole-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline

D351-2825 Screening compound: 2-[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-1H-1,2,4-triazole-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline
D351-2825 Screening compound: 2-[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-1H-1,2,4-triazole-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound D351-2825
2-[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-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

D351-2825

Molecular Formula

C25H21ClN4O2 (C25 H21 ClN4 O2)

Compound Name

2-[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-1H-1,2,4-triazole-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

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

SMILES

COc(cc1)ccc1-c1nc(C(N(CC2)Cc3c2cccc3)=O)nn1-c(cccc1)c1Cl

InChI

InChI=1S/C25H21ClN4O2/c1-32-20-12-10-18(11-13-20)24-27-23(28-30(24)22-9-5-4-8-21(22)26)25(31)29-15-14-17-6-2-3-7-19(17)16-29/h2-13H,14-16H2,1H3

InChI Key

GAODXIHDYMVEBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27581358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.371

Distribution Coefficient, logD

5.371

Water Solubility, LogSw

-5.90

Polar Surface Area

47.442

Acid Dissociation Constant (pKa)

26.01

Base Dissociation Constant (pKb)

-3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

D351-2825 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Immune system

References: we are preparing a list of scientific research reports with D351-2825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D351-2825?
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What is the minimum amount of D351-2825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D351-2825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D351-2825
  • 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 D351-2825 available by request