Y021-2898 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide

Y021-2898 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
Y021-2898 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2898
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide

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

Y021-2898

Molecular Formula

C15H16ClN5O3 (C15 H16 ClN5 O3)

Compound Name

N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide

IUPAC name

N-(5-chloro-2-methoxyphenyl)-2-{2-methyl-5-oxo-4H5H6H7H-[124]triazolo[15-a]pyrimidin-6-yl}acetamide

SMILES

Cc1nn(CC(CC(Nc(cc(cc2)Cl)c2OC)=O)C(N2)=O)c2n1

InChI

InChI=1S/C15H16ClN5O3/c1-8-17-15-19-14(23)9(7-21(15)20-8)5-13(22)18-11-6-10(16)3-4-12(11)24-2/h3-4,6,9H,5,7H2,1-2H3,(H,18,22)(H,17,19,20,23)/t9-/m0/s1

InChI Key

WPQNKDBXMXGAQS-VIFPVBQESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.78

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.784

Distribution Coefficient, logD

0.747

Water Solubility, LogSw

-2.52

Polar Surface Area

81.068

Acid Dissociation Constant (pKa)

8.46

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

Y021-2898 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y021-2898 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y021-2898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2898
  • 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 Y021-2898 available by request