D298-0576 Screening compound: 2-{[(4-butoxyphenyl)methyl]amino}-5,6-dimethyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D298-0576 Screening compound: 2-{[(4-butoxyphenyl)methyl]amino}-5,6-dimethyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D298-0576 Screening compound: 2-{[(4-butoxyphenyl)methyl]amino}-5,6-dimethyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D298-0576
2-{[(4-butoxyphenyl)methyl]amino}-5,6-dimethyl-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

D298-0576

Molecular Formula

C18H23N5O2 (C18 H23 N5 O2)

Compound Name

2-{[(4-butoxyphenyl)methyl]amino}-5,6-dimethyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

2-{[(4-butoxyphenyl)methyl]amino}-56-dimethyl-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

CCCCOc1ccc(CNc(nc2NC(C)=C3C)nn2C3=O)cc1

InChI

InChI=1S/C18H23N5O2/c1-4-5-10-25-15-8-6-14(7-9-15)11-19-17-21-18-20-13(3)12(2)16(24)23(18)22-17/h6-9H,4-5,10-11H2,1-3H3,(H2,19,20,21,22)

InChI Key

JPXCKJJSTVPVOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14817324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.261

Distribution Coefficient, logD

3.169

Water Solubility, LogSw

-3.30

Polar Surface Area

69.310

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with D298-0576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D298-0576?
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What is the minimum amount of D298-0576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D298-0576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D298-0576
  • 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 D298-0576 available by request