Y021-2588 Screening compound: [8-(4-chlorophenyl)-3-(methylsulfonyl)-4-phenylpyrazolo[5,1-c][1,2,4]triazin-1(4H)-yl]methyl cyanide

Y021-2588 Screening compound: [8-(4-chlorophenyl)-3-(methylsulfonyl)-4-phenylpyrazolo[5,1-c][1,2,4]triazin-1(4H)-yl]methyl cyanide
Y021-2588 Screening compound: [8-(4-chlorophenyl)-3-(methylsulfonyl)-4-phenylpyrazolo[5,1-c][1,2,4]triazin-1(4H)-yl]methyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2588
[8-(4-chlorophenyl)-3-(methylsulfonyl)-4-phenylpyrazolo[5,1-c][1,2,4]triazin-1(4H)-yl]methyl cyanide

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

Y021-2588

Molecular Formula

C20H16ClN5O2S (C20 H16 ClN5 O2 S)

Compound Name

[8-(4-chlorophenyl)-3-(methylsulfonyl)-4-phenylpyrazolo[5,1-c][1,2,4]triazin-1(4H)-yl]methyl cyanide

IUPAC name

2-[8-(4-chlorophenyl)-3-methanesulfonyl-4-phenyl-1H4H-pyrazolo[32-c][124]triazin-1-yl]acetonitrile

SMILES

CS(C(C(c1ccccc1)n1nc2)=NN(CC#N)c1c2-c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C20H16ClN5O2S/c1-29(27,28)19-18(15-5-3-2-4-6-15)26-20(25(24-19)12-11-22)17(13-23-26)14-7-9-16(21)10-8-14/h2-10,13,18H,12H2,1H3/t18-/m1/s1

InChI Key

AITQIHSJPAJQQL-GOSISDBHSA-N

MDL Number (MFCD)

MFCD31711641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.587

Distribution Coefficient, logD

3.587

Water Solubility, LogSw

-4.18

Polar Surface Area

73.995

Acid Dissociation Constant (pKa)

16.98

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with Y021-2588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-2588?
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What is the minimum amount of Y021-2588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2588
  • 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 Y021-2588 available by request