Y509-0892 Screening compound: [4-(3,4-dichlorobenzyl)piperazino]{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolyl}methanone

Y509-0892 Screening compound: [4-(3,4-dichlorobenzyl)piperazino]{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolyl}methanone
Y509-0892 Screening compound: [4-(3,4-dichlorobenzyl)piperazino]{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolyl}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y509-0892
[4-(3,4-dichlorobenzyl)piperazino]{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolyl}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

Y509-0892

Molecular Formula

C22H24Cl2N6O4 (C22 H24 Cl2 N6 O4)

Compound Name

[4-(3,4-dichlorobenzyl)piperazino]{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolyl}methanone

IUPAC name

n/a

SMILES

Cc(n(Cc1c(C)onc1C(N1CCN(Cc(cc2)cc(Cl)c2Cl)CC1)=O)nc1C)c1[N+]([O-])=O

InChI

InChI=1S/C22H24Cl2N6O4/c1-13-21(30(32)33)14(2)29(25-13)12-17-15(3)34-26-20(17)22(31)28-8-6-27(7-9-28)11-16-4-5-18(23)19(24)10-16/h4-5,10H,6-9,11-12H2,1-3H3

InChI Key

NTCMWJITTUXWTG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.035

Distribution Coefficient, logD

3.033

Water Solubility, LogSw

-3.42

Polar Surface Area

89.720

Acid Dissociation Constant (pKa)

24.19

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with Y509-0892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y509-0892?
Check Price and Availability of Y509-0892, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y509-0892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y509-0892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y509-0892
  • 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 Y509-0892 available by request