C226-4711 Screening compound: 4-(furan-2-yl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)-6-(trifluoromethyl)pyrimidine

C226-4711 Screening compound: 4-(furan-2-yl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)-6-(trifluoromethyl)pyrimidine
C226-4711 Screening compound: 4-(furan-2-yl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)-6-(trifluoromethyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-4711
4-(furan-2-yl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)-6-(trifluoromethyl)pyrimidine

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

C226-4711

Molecular Formula

C11H5F3N6O3 (C11 H5 F3 N6 O3)

Compound Name

4-(furan-2-yl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)-6-(trifluoromethyl)pyrimidine

IUPAC name

4-(furan-2-yl)-2-(3-nitro-1H-124-triazol-1-yl)-6-(trifluoromethyl)pyrimidine

SMILES

[O-][N+](c(nc1)nn1-c1nc(-c2ccco2)cc(C(F)(F)F)n1)=O

InChI

InChI=1S/C11H5F3N6O3/c12-11(13,14)8-4-6(7-2-1-3-23-7)16-10(17-8)19-5-15-9(18-19)20(21)22/h1-5H

InChI Key

MYRJIYXXMACKJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.19

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.403

Distribution Coefficient, logD

2.403

Water Solubility, LogSw

-2.56

Polar Surface Area

82.291

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

C226-4711 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C226-4711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-4711?
Check Price and Availability of C226-4711, 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 C226-4711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-4711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-4711
  • 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 C226-4711 available by request