K236-0096 Screening compound: 5-amino-N-[2-(4-chlorophenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide

K236-0096 Screening compound: 5-amino-N-[2-(4-chlorophenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
K236-0096 Screening compound: 5-amino-N-[2-(4-chlorophenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K236-0096
5-amino-N-[2-(4-chlorophenyl)ethyl]-1-[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

K236-0096

Molecular Formula

C18H15ClF3N5O (C18 H15 ClF3 N5 O)

Compound Name

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

IUPAC name

5-amino-N-[2-(4-chlorophenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]-1H-123-triazole-4-carboxamide

SMILES

Nc1c(C(NCCc(cc2)ccc2Cl)=O)nnn1-c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C18H15ClF3N5O/c19-13-6-4-11(5-7-13)8-9-24-17(28)15-16(23)27(26-25-15)14-3-1-2-12(10-14)18(20,21)22/h1-7,10H,8-9,23H2,(H,24,28)

InChI Key

SEKMNHGIWQLPDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.8

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.145

Distribution Coefficient, logD

3.145

Water Solubility, LogSw

-3.67

Polar Surface Area

70.587

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with K236-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K236-0096?
Check Price and Availability of K236-0096, 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 K236-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K236-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K236-0096
  • 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 K236-0096 available by request