Y504-5101 Screening compound: 2-(2-chloroanilino)-2-oxoethyl 1-methyl-1H-pyrazole-5-carboxylate

Y504-5101 Screening compound: 2-(2-chloroanilino)-2-oxoethyl 1-methyl-1H-pyrazole-5-carboxylate
Y504-5101 Screening compound: 2-(2-chloroanilino)-2-oxoethyl 1-methyl-1H-pyrazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y504-5101
2-(2-chloroanilino)-2-oxoethyl 1-methyl-1H-pyrazole-5-carboxylate

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

Y504-5101

Molecular Formula

C13H12ClN3O3 (C13 H12 ClN3 O3)

Compound Name

2-(2-chloroanilino)-2-oxoethyl 1-methyl-1H-pyrazole-5-carboxylate

IUPAC name

n/a

SMILES

Cn1nccc1C(OCC(Nc(cccc1)c1Cl)=O)=O

InChI

InChI=1S/C13H12ClN3O3/c1-17-11(6-7-15-17)13(19)20-8-12(18)16-10-5-3-2-4-9(10)14/h2-7H,8H2,1H3,(H,16,18)

InChI Key

WSSVDNIGRRWPOD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.71

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.040

Distribution Coefficient, logD

1.040

Water Solubility, LogSw

-2.31

Polar Surface Area

57.198

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with Y504-5101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y504-5101?
Check Price and Availability of Y504-5101, 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 Y504-5101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y504-5101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y504-5101
  • 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 Y504-5101 available by request