D412-0471 Screening compound: 2-{[(4-ethylphenyl)methyl]amino}-5-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D412-0471 Screening compound: 2-{[(4-ethylphenyl)methyl]amino}-5-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D412-0471 Screening compound: 2-{[(4-ethylphenyl)methyl]amino}-5-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D412-0471
2-{[(4-ethylphenyl)methyl]amino}-5-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

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

D412-0471

Molecular Formula

C24H26N6O (C24 H26 N6 O)

Compound Name

2-{[(4-ethylphenyl)methyl]amino}-5-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

2-{[(4-ethylphenyl)methyl]amino}-5-[(1234-tetrahydroisoquinolin-2-yl)methyl]-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

CCc1ccc(CNc(nc2NC(CN(CC3)Cc4c3cccc4)=C3)nn2C3=O)cc1

InChI

InChI=1S/C24H26N6O/c1-2-17-7-9-18(10-8-17)14-25-23-27-24-26-21(13-22(31)30(24)28-23)16-29-12-11-19-5-3-4-6-20(19)15-29/h3-10,13H,2,11-12,14-16H2,1H3,(H2,25,26,27,28)

InChI Key

HGSCOGIFYHRZGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.709

Distribution Coefficient, logD

1.816

Water Solubility, LogSw

-3.83

Polar Surface Area

66.375

Acid Dissociation Constant (pKa)

4.67

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with D412-0471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D412-0471?
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What is the minimum amount of D412-0471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D412-0471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D412-0471
  • 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 D412-0471 available by request