E141-0110 Screening compound: 1-(4-chlorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide

E141-0110 Screening compound: 1-(4-chlorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
E141-0110 Screening compound: 1-(4-chlorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E141-0110
1-(4-chlorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide

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

E141-0110

Molecular Formula

C17H12ClF3N4O (C17 H12 ClF3 N4 O)

Compound Name

1-(4-chlorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-(4-chlorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-123-triazole-4-carboxamide

SMILES

Cc1c(C(Nc2cc(C(F)(F)F)ccc2)=O)nnn1-c(cc1)ccc1Cl

InChI

InChI=1S/C17H12ClF3N4O/c1-10-15(23-24-25(10)14-7-5-12(18)6-8-14)16(26)22-13-4-2-3-11(9-13)17(19,20)21/h2-9H,1H3,(H,22,26)

InChI Key

QFFURKDGUAGUME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.76

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.509

Distribution Coefficient, logD

4.492

Water Solubility, LogSw

-4.81

Polar Surface Area

50.173

Acid Dissociation Constant (pKa)

8.80

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

E141-0110 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E141-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E141-0110?
Check Price and Availability of E141-0110, 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 E141-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E141-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E141-0110
  • 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 E141-0110 available by request