K415-0271 Screening compound: N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}adamantane-1-carboxamide

K415-0271 Screening compound: N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}adamantane-1-carboxamide
K415-0271 Screening compound: N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}adamantane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K415-0271
N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}adamantane-1-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

K415-0271

Molecular Formula

C29H36N4O (C29 H36 N4 O)

Compound Name

N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}adamantane-1-carboxamide

IUPAC name

N-{4-[5-(adamantan-1-yl)-1H-123-triazol-1-yl]phenyl}adamantane-1-carboxamide

SMILES

O=C(C1(CC(C2)C3)CC3CC2C1)Nc(cc1)ccc1-n1nncc1C1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C29H36N4O/c34-27(29-14-21-8-22(15-29)10-23(9-21)16-29)31-24-1-3-25(4-2-24)33-26(17-30-32-33)28-11-18-5-19(12-28)7-20(6-18)13-28/h1-4,17-23H,5-16H2,(H,31,34)

InChI Key

IGMHOMOTGLJLRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04413045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.482

Distribution Coefficient, logD

7.482

Water Solubility, LogSw

-5.95

Polar Surface Area

49.381

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.00

K415-0271 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K415-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K415-0271?
Check Price and Availability of K415-0271, 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 K415-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K415-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K415-0271
  • 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 K415-0271 available by request