Y500-6852 Screening compound: 5-{[4-(1-{(Z)-2-[2-(3-methyl-4-nitro-1H-pyrazol-1-yl)acetyl]hydrazono}ethyl)phenoxy]methyl}-2-furoic acid

Y500-6852 Screening compound: 5-{[4-(1-{(Z)-2-[2-(3-methyl-4-nitro-1H-pyrazol-1-yl)acetyl]hydrazono}ethyl)phenoxy]methyl}-2-furoic acid
Y500-6852 Screening compound: 5-{[4-(1-{(Z)-2-[2-(3-methyl-4-nitro-1H-pyrazol-1-yl)acetyl]hydrazono}ethyl)phenoxy]methyl}-2-furoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-6852
5-{[4-(1-{(Z)-2-[2-(3-methyl-4-nitro-1H-pyrazol-1-yl)acetyl]hydrazono}ethyl)phenoxy]methyl}-2-furoic 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

Y500-6852

Molecular Formula

C20H19N5O7 (C20 H19 N5 O7)

Compound Name

5-{[4-(1-{(Z)-2-[2-(3-methyl-4-nitro-1H-pyrazol-1-yl)acetyl]hydrazono}ethyl)phenoxy]methyl}-2-furoic acid

IUPAC name

5-({4-[(1Z)-1-{[2-(3-methyl-4-nitro-1H-pyrazol-1-yl)acetamido]imino}ethyl]phenoxy}methyl)furan-2-carboxylic acid

SMILES

C/C(/c(cc1)ccc1OCc1ccc(C(O)=O)o1)=N/NC(Cn1nc(C)c([N+]([O-])=O)c1)=O

InChI

InChI=1S/C20H19N5O7/c1-12(21-22-19(26)10-24-9-17(25(29)30)13(2)23-24)14-3-5-15(6-4-14)31-11-16-7-8-18(32-16)20(27)28/h3-9H,10-11H2,1-2H3,(H,22,26)(H,27,28)

InChI Key

RBRHDPBIKXVKCM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.4

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.672

Distribution Coefficient, logD

-2.312

Water Solubility, LogSw

-2.09

Polar Surface Area

126.316

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with Y500-6852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-6852?
Check Price and Availability of Y500-6852, 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 Y500-6852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-6852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-6852
  • 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 Y500-6852 available by request