Y509-5634 Screening compound: [4-(2-chloro-4-fluorobenzyl)piperazino](3-methoxy-4-nitro-1H-pyrazol-5-yl)methanone

Y509-5634 Screening compound: [4-(2-chloro-4-fluorobenzyl)piperazino](3-methoxy-4-nitro-1H-pyrazol-5-yl)methanone
Y509-5634 Screening compound: [4-(2-chloro-4-fluorobenzyl)piperazino](3-methoxy-4-nitro-1H-pyrazol-5-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y509-5634
[4-(2-chloro-4-fluorobenzyl)piperazino](3-methoxy-4-nitro-1H-pyrazol-5-yl)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

Y509-5634

Molecular Formula

C16H17ClFN5O4 (C16 H17 ClFN5 O4)

Compound Name

[4-(2-chloro-4-fluorobenzyl)piperazino](3-methoxy-4-nitro-1H-pyrazol-5-yl)methanone

IUPAC name

n/a

SMILES

COc1n[nH]c(C(N2CCN(Cc(ccc(F)c3)c3Cl)CC2)=O)c1[N+]([O-])=O

InChI

InChI=1S/C16H17ClFN5O4/c1-27-15-14(23(25)26)13(19-20-15)16(24)22-6-4-21(5-7-22)9-10-2-3-11(18)8-12(10)17/h2-3,8H,4-7,9H2,1H3,(H,19,20)

InChI Key

WQTAMBZSHQAZSA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.79

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.362

Distribution Coefficient, logD

1.645

Water Solubility, LogSw

-3.30

Polar Surface Area

85.040

Acid Dissociation Constant (pKa)

0.32

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with Y509-5634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y509-5634?
Check Price and Availability of Y509-5634, 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 Y509-5634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y509-5634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y509-5634
  • 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 Y509-5634 available by request