D412-0467 Screening compound: 2-{[(4-ethylphenyl)methyl]amino}-5-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D412-0467 Screening compound: 2-{[(4-ethylphenyl)methyl]amino}-5-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D412-0467 Screening compound: 2-{[(4-ethylphenyl)methyl]amino}-5-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D412-0467
2-{[(4-ethylphenyl)methyl]amino}-5-{[4-(2-methoxyphenyl)piperazin-1-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

D412-0467

Molecular Formula

C26H31N7O2 (C26 H31 N7 O2)

Compound Name

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

IUPAC name

2-{[(4-ethylphenyl)methyl]amino}-5-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

CCc1ccc(CNc(nc2NC(CN(CC3)CCN3c(cccc3)c3OC)=C3)nn2C3=O)cc1

InChI

InChI=1S/C26H31N7O2/c1-3-19-8-10-20(11-9-19)17-27-25-29-26-28-21(16-24(34)33(26)30-25)18-31-12-14-32(15-13-31)22-6-4-5-7-23(22)35-2/h4-11,16H,3,12-15,17-18H2,1-2H3,(H2,27,28,29,30)

InChI Key

CCHFVTHDOSTRKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.361

Distribution Coefficient, logD

2.995

Water Solubility, LogSw

-3.69

Polar Surface Area

77.303

Acid Dissociation Constant (pKa)

7.28

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with D412-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D412-0467?
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What is the minimum amount of D412-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D412-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D412-0467
  • 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 D412-0467 available by request