6228-1289 Screening compound: methyl 1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylate

6228-1289 Screening compound: methyl 1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylate
6228-1289 Screening compound: methyl 1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-1289
methyl 1-[(4-methylphenyl)methyl]-3-nitro-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

6228-1289

Molecular Formula

C13H13N3O4 (C13 H13 N3 O4)

Compound Name

methyl 1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylate

IUPAC name

methyl 1-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylate

SMILES

Cc1ccc(Cn(c(C(OC)=O)c2)nc2[N+]([O-])=O)cc1

InChI

InChI=1S/C13H13N3O4/c1-9-3-5-10(6-4-9)8-15-11(13(17)20-2)7-12(14-15)16(18)19/h3-7H,8H2,1-2H3

InChI Key

DNFJIIVNICSFGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03033943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.26

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

1.964

Distribution Coefficient, logD

1.964

Water Solubility, LogSw

-2.44

Polar Surface Area

67.216

Acid Dissociation Constant (pKa)

28.22

Base Dissociation Constant (pKb)

-3.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with 6228-1289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-1289?
Check Price and Availability of 6228-1289, 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 6228-1289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-1289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-1289
  • 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 6228-1289 available by request