8012-5704 Screening compound: methyl 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate

8012-5704 Screening compound: methyl 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
8012-5704 Screening compound: methyl 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5704
methyl 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-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

8012-5704

Molecular Formula

C12H9F3N4O4 (C12 H9 F3 N4 O4)

Compound Name

methyl 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate

IUPAC name

methyl 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-123-triazole-4-carboxylate

SMILES

Cc1c(C(OC)=O)nnn1-c(ccc(C(F)(F)F)c1)c1[N+]([O-])=O

InChI

InChI=1S/C12H9F3N4O4/c1-6-10(11(20)23-2)16-17-18(6)8-4-3-7(12(13,14)15)5-9(8)19(21)22/h3-5H,1-2H3

InChI Key

GWUFYLKNFGEXHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.22

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.141

Distribution Coefficient, logD

2.141

Water Solubility, LogSw

-2.62

Polar Surface Area

81.035

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

-3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8012-5704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5704?
Check Price and Availability of 8012-5704, 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 8012-5704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5704
  • 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 8012-5704 available by request