1800-0217 Screening compound: 1-[3-(trifluoromethyl)benzoyl]-1H-1,2,3-benzotriazole

1800-0217 Screening compound: 1-[3-(trifluoromethyl)benzoyl]-1H-1,2,3-benzotriazole
1800-0217 Screening compound: 1-[3-(trifluoromethyl)benzoyl]-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1800-0217
1-[3-(trifluoromethyl)benzoyl]-1H-1,2,3-benzotriazole

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

1800-0217

Molecular Formula

C14H8F3N3O (C14 H8 F3 N3 O)

Compound Name

1-[3-(trifluoromethyl)benzoyl]-1H-1,2,3-benzotriazole

IUPAC name

1-[3-(trifluoromethyl)benzoyl]-1H-123-benzotriazole

SMILES

O=C(c1cccc(C(F)(F)F)c1)n1nnc2c1cccc2

InChI

InChI=1S/C14H8F3N3O/c15-14(16,17)10-5-3-4-9(8-10)13(21)20-12-7-2-1-6-11(12)18-19-20/h1-8H

InChI Key

RDLUQEGIGZNSED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01469704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.842

Distribution Coefficient, logD

2.842

Water Solubility, LogSw

-3.20

Polar Surface Area

38.996

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

1800-0217 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1800-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1800-0217?
Check Price and Availability of 1800-0217, 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 1800-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1800-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1800-0217
  • 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 1800-0217 available by request