Y020-2499 Screening compound: {7-[4-(benzyloxy)phenyl]-2,5-dimethyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}(morpholino)methanone

Y020-2499 Screening compound: {7-[4-(benzyloxy)phenyl]-2,5-dimethyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}(morpholino)methanone
Y020-2499 Screening compound: {7-[4-(benzyloxy)phenyl]-2,5-dimethyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}(morpholino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-2499
{7-[4-(benzyloxy)phenyl]-2,5-dimethyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}(morpholino)methanone

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

Y020-2499

Molecular Formula

C25H27N5O3 (C25 H27 N5 O3)

Compound Name

{7-[4-(benzyloxy)phenyl]-2,5-dimethyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}(morpholino)methanone

IUPAC name

4-{7-[4-(benzyloxy)phenyl]-25-dimethyl-4H7H-[124]triazolo[15-a]pyrimidine-6-carbonyl}morpholine

SMILES

Cc1nn(C(c(cc2)ccc2OCc2ccccc2)C(C(N2CCOCC2)=O)=C(C)N2)c2n1

InChI

InChI=1S/C25H27N5O3/c1-17-22(24(31)29-12-14-32-15-13-29)23(30-25(26-17)27-18(2)28-30)20-8-10-21(11-9-20)33-16-19-6-4-3-5-7-19/h3-11,23H,12-16H2,1-2H3,(H,26,27,28)/t23-/m0/s1

InChI Key

ZHXWVMWDJDYFBB-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD08709826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.876

Distribution Coefficient, logD

2.419

Water Solubility, LogSw

-3.24

Polar Surface Area

68.446

Acid Dissociation Constant (pKa)

7.13

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

Y020-2499 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y020-2499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-2499?
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What is the minimum amount of Y020-2499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-2499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-2499
  • 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 Y020-2499 available by request