D298-0064 Screening compound: ethyl 2-(2-{[(2-chlorophenyl)methyl]amino}-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate

D298-0064 Screening compound: ethyl 2-(2-{[(2-chlorophenyl)methyl]amino}-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
D298-0064 Screening compound: ethyl 2-(2-{[(2-chlorophenyl)methyl]amino}-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D298-0064
ethyl 2-(2-{[(2-chlorophenyl)methyl]amino}-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate

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

D298-0064

Molecular Formula

C16H16ClN5O3 (C16 H16 ClN5 O3)

Compound Name

ethyl 2-(2-{[(2-chlorophenyl)methyl]amino}-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate

IUPAC name

ethyl 2-(2-{[(2-chlorophenyl)methyl]amino}-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-5-yl)acetate

SMILES

CCOC(CC(Nc1nc(NCc(cccc2)c2Cl)nn11)=CC1=O)=O

InChI

InChI=1S/C16H16ClN5O3/c1-2-25-14(24)8-11-7-13(23)22-16(19-11)20-15(21-22)18-9-10-5-3-4-6-12(10)17/h3-7H,2,8-9H2,1H3,(H2,18,19,20,21)

InChI Key

IRWQTHPCEPYZFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14817174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.79

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.192

Distribution Coefficient, logD

1.814

Water Solubility, LogSw

-3.08

Polar Surface Area

83.140

Acid Dissociation Constant (pKa)

7.26

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D298-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D298-0064?
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What is the minimum amount of D298-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D298-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D298-0064
  • 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 D298-0064 available by request