2466-0842 Screening compound: 4-tert-butyl-N-{2-[3-(trifluoromethyl)phenyl]-2H-1,2,3-benzotriazol-5-yl}benzamide

2466-0842 Screening compound: 4-tert-butyl-N-{2-[3-(trifluoromethyl)phenyl]-2H-1,2,3-benzotriazol-5-yl}benzamide
2466-0842 Screening compound: 4-tert-butyl-N-{2-[3-(trifluoromethyl)phenyl]-2H-1,2,3-benzotriazol-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2466-0842
4-tert-butyl-N-{2-[3-(trifluoromethyl)phenyl]-2H-1,2,3-benzotriazol-5-yl}benzamide

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

2466-0842

Molecular Formula

C24H21F3N4O (C24 H21 F3 N4 O)

Compound Name

4-tert-butyl-N-{2-[3-(trifluoromethyl)phenyl]-2H-1,2,3-benzotriazol-5-yl}benzamide

IUPAC name

4-tert-butyl-N-{2-[3-(trifluoromethyl)phenyl]-2H-123-benzotriazol-5-yl}benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc1cc2nn(-c3cccc(C(F)(F)F)c3)nc2cc1)=O

InChI

InChI=1S/C24H21F3N4O/c1-23(2,3)16-9-7-15(8-10-16)22(32)28-18-11-12-20-21(14-18)30-31(29-20)19-6-4-5-17(13-19)24(25,26)27/h4-14H,1-3H3,(H,28,32)

InChI Key

WLSDVAPYMOSPDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01931936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.916

Distribution Coefficient, logD

6.897

Water Solubility, LogSw

-5.86

Polar Surface Area

47.364

Acid Dissociation Constant (pKa)

8.76

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with 2466-0842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2466-0842?
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What is the minimum amount of 2466-0842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2466-0842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2466-0842
  • 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 2466-0842 available by request