Y504-9061 Screening compound: methyl 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzoate

Y504-9061 Screening compound: methyl 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzoate
Y504-9061 Screening compound: methyl 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y504-9061
methyl 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzoate

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

Y504-9061

Molecular Formula

C12H10ClN3O4 (C12 H10 ClN3 O4)

Compound Name

methyl 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzoate

IUPAC name

n/a

SMILES

COC(c1cccc(Cn(cc2Cl)nc2[N+]([O-])=O)c1)=O

InChI

InChI=1S/C12H10ClN3O4/c1-20-12(17)9-4-2-3-8(5-9)6-15-7-10(13)11(14-15)16(18)19/h2-5,7H,6H2,1H3

InChI Key

BAAFVWNLIUBTNG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.357

Distribution Coefficient, logD

2.357

Water Solubility, LogSw

-3.20

Polar Surface Area

69.009

Acid Dissociation Constant (pKa)

29.53

Base Dissociation Constant (pKb)

-5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with Y504-9061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y504-9061?
Check Price and Availability of Y504-9061, 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 Y504-9061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y504-9061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y504-9061
  • 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 Y504-9061 available by request