Y010-0879 Screening compound: 4-[(7-benzyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]phenyl methyl ether

Y010-0879 Screening compound: 4-[(7-benzyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]phenyl methyl ether
Y010-0879 Screening compound: 4-[(7-benzyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-0879
4-[(7-benzyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]phenyl methyl 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

Y010-0879

Molecular Formula

C21H18N6O (C21 H18 N6 O)

Compound Name

4-[(7-benzyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl]phenyl methyl ether

IUPAC name

10-benzyl-4-[(4-methoxyphenyl)methyl]-35681011-hexaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

COc1ccc(Cc2nn(cnc3c4cnn3Cc3ccccc3)c4n2)cc1

InChI

InChI=1S/C21H18N6O/c1-28-17-9-7-15(8-10-17)11-19-24-21-18-12-23-26(13-16-5-3-2-4-6-16)20(18)22-14-27(21)25-19/h2-10,12,14H,11,13H2,1H3

InChI Key

DMKJWCOMYPUWEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03290481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.164

Distribution Coefficient, logD

3.157

Water Solubility, LogSw

-2.95

Polar Surface Area

52.840

Acid Dissociation Constant (pKa)

24.38

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

Y010-0879 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 Y010-0879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0879?
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What is the minimum amount of Y010-0879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0879
  • 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 Y010-0879 available by request