Y501-5164 Screening compound: N'-{[(4-chloro-1-ethyl-1H-pyrazol-5-yl)carbonyl]oxy}-4-nitrobenzenecarboximidamide

Y501-5164 Screening compound: N'-{[(4-chloro-1-ethyl-1H-pyrazol-5-yl)carbonyl]oxy}-4-nitrobenzenecarboximidamide
Y501-5164 Screening compound: N'-{[(4-chloro-1-ethyl-1H-pyrazol-5-yl)carbonyl]oxy}-4-nitrobenzenecarboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-5164
N'-{[(4-chloro-1-ethyl-1H-pyrazol-5-yl)carbonyl]oxy}-4-nitrobenzenecarboximidamide

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

Y501-5164

Molecular Formula

C13H12ClN5O4 (C13 H12 ClN5 O4)

Compound Name

N'-{[(4-chloro-1-ethyl-1H-pyrazol-5-yl)carbonyl]oxy}-4-nitrobenzenecarboximidamide

IUPAC name

(Z)-[amino(4-nitrophenyl)methylidene]amino 4-chloro-1-ethyl-1H-pyrazole-5-carboxylate

SMILES

CCn1ncc(Cl)c1C(O/N=C(/c(cc1)ccc1[N+]([O-])=O)\N)=O

InChI

InChI=1S/C13H12ClN5O4/c1-2-18-11(10(14)7-16-18)13(20)23-17-12(15)8-3-5-9(6-4-8)19(21)22/h3-7H,2H2,1H3,(H2,15,17)

InChI Key

HNYDONACIJTAFX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.72

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.725

Distribution Coefficient, logD

1.725

Water Solubility, LogSw

-2.76

Polar Surface Area

98.446

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

References: we are preparing a list of scientific research reports with Y501-5164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-5164?
Check Price and Availability of Y501-5164, 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 Y501-5164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-5164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-5164
  • 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 Y501-5164 available by request