C226-4718 Screening compound: methyl 1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-1H-pyrazole-3-carboxylate

C226-4718 Screening compound: methyl 1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-1H-pyrazole-3-carboxylate
C226-4718 Screening compound: methyl 1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-4718
methyl 1-[4-(furan-2-yl)-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

C226-4718

Molecular Formula

C14H8F3N5O5 (C14 H8 F3 N5 O5)

Compound Name

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

IUPAC name

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

SMILES

COC(c(c([N+]([O-])=O)c1)nn1-c1nc(-c2ccco2)cc(C(F)(F)F)n1)=O

InChI

InChI=1S/C14H8F3N5O5/c1-26-12(23)11-8(22(24)25)6-21(20-11)13-18-7(9-3-2-4-27-9)5-10(19-13)14(15,16)17/h2-6H,1H3

InChI Key

QGNOQKLJVYRWSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.24

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.814

Distribution Coefficient, logD

2.814

Water Solubility, LogSw

-3.33

Polar Surface Area

95.202

Acid Dissociation Constant (pKa)

34.19

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with C226-4718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-4718?
Check Price and Availability of C226-4718, 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 C226-4718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-4718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-4718
  • 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 C226-4718 available by request