Y504-8201 Screening compound: 3-({[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]amino}carbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Y504-8201 Screening compound: 3-({[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]amino}carbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Y504-8201 Screening compound: 3-({[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]amino}carbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y504-8201
3-({[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]amino}carbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid

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

Y504-8201

Molecular Formula

C15H16N4O7 (C15 H16 N4 O7)

Compound Name

3-({[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]amino}carbonyl)-1-methyl-1H-pyrazole-4-carboxylic acid

IUPAC name

3-{[13-dihydroxy-1-(4-nitrophenyl)propan-2-yl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid

SMILES

Cn1nc(C(NC(CO)C(c(cc2)ccc2[N+]([O-])=O)O)=O)c(C(O)=O)c1

InChI

InChI=1S/C15H16N4O7/c1-18-6-10(15(23)24)12(17-18)14(22)16-11(7-20)13(21)8-2-4-9(5-3-8)19(25)26/h2-6,11,13,20-21H,7H2,1H3,(H,16,22)(H,23,24)

InChI Key

SPMLWKMVSCZMMW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.31

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.117

Distribution Coefficient, logD

-3.892

Water Solubility, LogSw

-2.09

Polar Surface Area

134.227

Acid Dissociation Constant (pKa)

3.62

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.67

References: we are preparing a list of scientific research reports with Y504-8201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y504-8201?
Check Price and Availability of Y504-8201, 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 Y504-8201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y504-8201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y504-8201
  • 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 Y504-8201 available by request