Y503-4786 Screening compound: 2,4-dichlorophenyl {4-[10-methyl-11-(1-methyl-1H-pyrazol-4-yl)-9,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzyl} ether

Y503-4786 Screening compound: 2,4-dichlorophenyl {4-[10-methyl-11-(1-methyl-1H-pyrazol-4-yl)-9,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzyl} ether
Y503-4786 Screening compound: 2,4-dichlorophenyl {4-[10-methyl-11-(1-methyl-1H-pyrazol-4-yl)-9,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzyl} ether alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-4786
2,4-dichlorophenyl {4-[10-methyl-11-(1-methyl-1H-pyrazol-4-yl)-9,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzyl} ether

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

Y503-4786

Molecular Formula

C27H20Cl2N8O2 (C27 H20 Cl2 N8 O2)

Compound Name

2,4-dichlorophenyl {4-[10-methyl-11-(1-methyl-1H-pyrazol-4-yl)-9,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzyl} ether

IUPAC name

4-{4-[(24-dichlorophenoxy)methyl]phenyl}-14-methyl-16-(1-methyl-1H-pyrazol-4-yl)-10-oxa-35681213-hexaazatetracyclo[7.7.0.0^{26}.0^{1115}]hexadeca-1(9)2471114-hexaene

SMILES

Cc1c(C(c2cn(C)nc2)c(c2nc(-c3ccc(COc(ccc(Cl)c4)c4Cl)cc3)nn2cn2)c2O2)c2n[nH]1

InChI

InChI=1S/C27H20Cl2N8O2/c1-14-21-22(17-10-31-36(2)11-17)23-25-32-24(35-37(25)13-30-26(23)39-27(21)34-33-14)16-5-3-15(4-6-16)12-38-20-8-7-18(28)9-19(20)29/h3-11,13,22H,12H2,1-2H3,(H,33,34)/t22-/m0/s1

InChI Key

ONROEULKBQLPJZ-QFIPXVFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.602

Distribution Coefficient, logD

1.983

Water Solubility, LogSw

-4.87

Polar Surface Area

87.688

Acid Dissociation Constant (pKa)

4.78

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.81

References: we are preparing a list of scientific research reports with Y503-4786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-4786?
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What is the minimum amount of Y503-4786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-4786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-4786
  • 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 Y503-4786 available by request