Y502-0548 Screening compound: 4-chloro-1-ethyl-N-[3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoyl]-1H-pyrazole-3-carbohydrazide

Y502-0548 Screening compound: 4-chloro-1-ethyl-N-[3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoyl]-1H-pyrazole-3-carbohydrazide
Y502-0548 Screening compound: 4-chloro-1-ethyl-N-[3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoyl]-1H-pyrazole-3-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-0548
4-chloro-1-ethyl-N-[3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoyl]-1H-pyrazole-3-carbohydrazide

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

Y502-0548

Molecular Formula

C11H13ClN8O4 (C11 H13 ClN8 O4)

Compound Name

4-chloro-1-ethyl-N-[3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoyl]-1H-pyrazole-3-carbohydrazide

IUPAC name

N'-(4-chloro-1-ethyl-1H-pyrazole-3-carbonyl)-3-(3-nitro-1H-124-triazol-1-yl)propanehydrazide

SMILES

CCn1nc(C(NNC(CCn(cn2)nc2[N+]([O-])=O)=O)=O)c(Cl)c1

InChI

InChI=1S/C11H13ClN8O4/c1-2-18-5-7(12)9(16-18)10(22)15-14-8(21)3-4-19-6-13-11(17-19)20(23)24/h5-6H,2-4H2,1H3,(H,14,21)(H,15,22)

InChI Key

RNADUBUXELGCEI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.73

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

-0.731

Distribution Coefficient, logD

-0.735

Water Solubility, LogSw

-2.23

Polar Surface Area

122.916

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

References: we are preparing a list of scientific research reports with Y502-0548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-0548?
Check Price and Availability of Y502-0548, 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 Y502-0548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-0548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-0548
  • 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 Y502-0548 available by request