K415-0395 Screening compound: 2-{4-[5-(furan-2-yl)-1H-1,2,3-triazol-1-yl]phenyl}-2-oxoethyl (2E)-3-phenylprop-2-enoate

K415-0395 Screening compound: 2-{4-[5-(furan-2-yl)-1H-1,2,3-triazol-1-yl]phenyl}-2-oxoethyl (2E)-3-phenylprop-2-enoate
K415-0395 Screening compound: 2-{4-[5-(furan-2-yl)-1H-1,2,3-triazol-1-yl]phenyl}-2-oxoethyl (2E)-3-phenylprop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K415-0395
2-{4-[5-(furan-2-yl)-1H-1,2,3-triazol-1-yl]phenyl}-2-oxoethyl (2E)-3-phenylprop-2-enoate

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

K415-0395

Molecular Formula

C23H17N3O4 (C23 H17 N3 O4)

Compound Name

2-{4-[5-(furan-2-yl)-1H-1,2,3-triazol-1-yl]phenyl}-2-oxoethyl (2E)-3-phenylprop-2-enoate

IUPAC name

2-{4-[5-(furan-2-yl)-1H-123-triazol-1-yl]phenyl}-2-oxoethyl (2E)-3-phenylprop-2-enoate

SMILES

O=C(COC(/C=C/c1ccccc1)=O)c(cc1)ccc1-n1nncc1-c1ccco1

InChI

InChI=1S/C23H17N3O4/c27-21(16-30-23(28)13-8-17-5-2-1-3-6-17)18-9-11-19(12-10-18)26-20(15-24-25-26)22-7-4-14-29-22/h1-15H,16H2

InChI Key

ILNJUCBSBXIFBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03955597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.025

Distribution Coefficient, logD

4.025

Water Solubility, LogSw

-4.33

Polar Surface Area

68.311

Acid Dissociation Constant (pKa)

23.04

Base Dissociation Constant (pKb)

2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

K415-0395 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K415-0395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K415-0395?
Check Price and Availability of K415-0395, 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 K415-0395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K415-0395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K415-0395
  • 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 K415-0395 available by request