K415-0380 Screening compound: 1-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}ethan-1-one

K415-0380 Screening compound: 1-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}ethan-1-one
K415-0380 Screening compound: 1-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K415-0380
1-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}ethan-1-one

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

K415-0380

Molecular Formula

C20H23N3O (C20 H23 N3 O)

Compound Name

1-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}ethan-1-one

IUPAC name

1-{4-[5-(adamantan-1-yl)-1H-123-triazol-1-yl]phenyl}ethan-1-one

SMILES

CC(c(cc1)ccc1-n1nncc1C1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C20H23N3O/c1-13(24)17-2-4-18(5-3-17)23-19(12-21-22-23)20-9-14-6-15(10-20)8-16(7-14)11-20/h2-5,12,14-16H,6-11H2,1H3

InChI Key

SXTBAMUGGNWYDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01837922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.42

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

4.507

Distribution Coefficient, logD

4.507

Water Solubility, LogSw

-4.20

Polar Surface Area

40.083

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

K415-0380 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Eye
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K415-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K415-0380?
Check Price and Availability of K415-0380, 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 K415-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K415-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K415-0380
  • 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 K415-0380 available by request