K415-0381 Screening compound: 2-oxo-2-[4-(5-phenyl-1H-1,2,3-triazol-1-yl)phenyl]ethyl 2-fluorobenzoate

K415-0381 Screening compound: 2-oxo-2-[4-(5-phenyl-1H-1,2,3-triazol-1-yl)phenyl]ethyl 2-fluorobenzoate
K415-0381 Screening compound: 2-oxo-2-[4-(5-phenyl-1H-1,2,3-triazol-1-yl)phenyl]ethyl 2-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K415-0381
2-oxo-2-[4-(5-phenyl-1H-1,2,3-triazol-1-yl)phenyl]ethyl 2-fluorobenzoate

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

K415-0381

Molecular Formula

C23H16FN3O3 (C23 H16 FN3 O3)

Compound Name

2-oxo-2-[4-(5-phenyl-1H-1,2,3-triazol-1-yl)phenyl]ethyl 2-fluorobenzoate

IUPAC name

2-oxo-2-[4-(5-phenyl-1H-123-triazol-1-yl)phenyl]ethyl 2-fluorobenzoate

SMILES

O=C(COC(c(cccc1)c1F)=O)c(cc1)ccc1-n1nncc1-c1ccccc1

InChI

InChI=1S/C23H16FN3O3/c24-20-9-5-4-8-19(20)23(29)30-15-22(28)17-10-12-18(13-11-17)27-21(14-25-26-27)16-6-2-1-3-7-16/h1-14H,15H2

InChI Key

JMDCDJPXKORBBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03955599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.291

Distribution Coefficient, logD

4.291

Water Solubility, LogSw

-4.50

Polar Surface Area

60.327

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

K415-0381 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K415-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K415-0381?
Check Price and Availability of K415-0381, 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 K415-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K415-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K415-0381
  • 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 K415-0381 available by request