Y504-8661 Screening compound: 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolecarboxylic acid

Y504-8661 Screening compound: 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolecarboxylic acid
Y504-8661 Screening compound: 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y504-8661
4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolecarboxylic 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

Y504-8661

Molecular Formula

C11H12N4O5 (C11 H12 N4 O5)

Compound Name

4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolecarboxylic acid

IUPAC name

4-[(35-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-12-oxazole-3-carboxylic acid

SMILES

Cc(n(Cc1c(C)onc1C(O)=O)nc1C)c1[N+]([O-])=O

InChI

InChI=1S/C11H12N4O5/c1-5-10(15(18)19)6(2)14(12-5)4-8-7(3)20-13-9(8)11(16)17/h4H2,1-3H3,(H,16,17)

InChI Key

VJGBACPZKYXDKB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.24

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.218

Distribution Coefficient, logD

-3.341

Water Solubility, LogSw

-0.37

Polar Surface Area

97.940

Acid Dissociation Constant (pKa)

3.84

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

References: we are preparing a list of scientific research reports with Y504-8661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y504-8661?
Check Price and Availability of Y504-8661, 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 Y504-8661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y504-8661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y504-8661
  • 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 Y504-8661 available by request