C226-4460 Screening compound: methyl 1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-1H-pyrazole-3-carboxylate

C226-4460 Screening compound: methyl 1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-1H-pyrazole-3-carboxylate
C226-4460 Screening compound: methyl 1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-4460
methyl 1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-1H-pyrazole-3-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

C226-4460

Molecular Formula

C16H9F4N5O4 (C16 H9 F4 N5 O4)

Compound Name

methyl 1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-1H-pyrazole-3-carboxylate

IUPAC name

methyl 1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-1H-pyrazole-3-carboxylate

SMILES

COC(c(c([N+]([O-])=O)c1)nn1-c1nc(C(F)(F)F)cc(-c(cc2)ccc2F)n1)=O

InChI

InChI=1S/C16H9F4N5O4/c1-29-14(26)13-11(25(27)28)7-24(23-13)15-21-10(6-12(22-15)16(18,19)20)8-2-4-9(17)5-3-8/h2-7H,1H3

InChI Key

YPZXTIMGKKPHAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.27

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.937

Distribution Coefficient, logD

3.937

Water Solubility, LogSw

-4.21

Polar Surface Area

86.624

Acid Dissociation Constant (pKa)

34.19

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C226-4460 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C226-4460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-4460?
Check Price and Availability of C226-4460, 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 C226-4460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-4460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-4460
  • 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 C226-4460 available by request