L455-0561 Screening compound: 1-[(4-methylphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1H-1,2,3-benzotriazole-5-carboxamide

L455-0561 Screening compound: 1-[(4-methylphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1H-1,2,3-benzotriazole-5-carboxamide
L455-0561 Screening compound: 1-[(4-methylphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1H-1,2,3-benzotriazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L455-0561
1-[(4-methylphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1H-1,2,3-benzotriazole-5-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

L455-0561

Molecular Formula

C22H17F3N4O (C22 H17 F3 N4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(Cn2nnc3c2ccc(C(Nc2cccc(C(F)(F)F)c2)=O)c3)cc1

InChI

InChI=1S/C22H17F3N4O/c1-14-5-7-15(8-6-14)13-29-20-10-9-16(11-19(20)27-28-29)21(30)26-18-4-2-3-17(12-18)22(23,24)25/h2-12H,13H2,1H3,(H,26,30)

InChI Key

OEUQMFNAXVDEGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27643214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.4

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

4.864

Distribution Coefficient, logD

4.843

Water Solubility, LogSw

-4.60

Polar Surface Area

48.756

Acid Dissociation Constant (pKa)

8.72

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

L455-0561 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L455-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L455-0561?
Check Price and Availability of L455-0561, 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 L455-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L455-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L455-0561
  • 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 L455-0561 available by request