Y021-2901 Screening compound: N-(3-chloro-4-methylphenyl)-2-[5-oxo-2-(4-pyridyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide

Y021-2901 Screening compound: N-(3-chloro-4-methylphenyl)-2-[5-oxo-2-(4-pyridyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
Y021-2901 Screening compound: N-(3-chloro-4-methylphenyl)-2-[5-oxo-2-(4-pyridyl)-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 Y021-2901
N-(3-chloro-4-methylphenyl)-2-[5-oxo-2-(4-pyridyl)-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

Y021-2901

Molecular Formula

C19H17ClN6O2 (C19 H17 ClN6 O2)

Compound Name

N-(3-chloro-4-methylphenyl)-2-[5-oxo-2-(4-pyridyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide

IUPAC name

N-(3-chloro-4-methylphenyl)-2-[5-oxo-2-(pyridin-4-yl)-4H5H6H7H-[124]triazolo[15-a]pyrimidin-6-yl]acetamide

SMILES

Cc(ccc(NC(CC(Cn1nc(-c2ccncc2)nc1N1)C1=O)=O)c1)c1Cl

InChI

InChI=1S/C19H17ClN6O2/c1-11-2-3-14(9-15(11)20)22-16(27)8-13-10-26-19(24-18(13)28)23-17(25-26)12-4-6-21-7-5-12/h2-7,9,13H,8,10H2,1H3,(H,22,27)(H,23,24,25,28)/t13-/m0/s1

InChI Key

GGXMOVHWZSQTKY-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.84

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

2.596

Distribution Coefficient, logD

2.594

Water Solubility, LogSw

-3.48

Polar Surface Area

83.679

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.05

References: we are preparing a list of scientific research reports with Y021-2901 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2901
  • 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 Y021-2901 available by request