K415-0042 Screening compound: N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}-2-methoxybenzamide

K415-0042 Screening compound: N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}-2-methoxybenzamide
K415-0042 Screening compound: N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K415-0042
N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}-2-methoxybenzamide

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

K415-0042

Molecular Formula

C26H28N4O2 (C26 H28 N4 O2)

Compound Name

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

IUPAC name

N-{4-[5-(adamantan-1-yl)-1H-123-triazol-1-yl]phenyl}-2-methoxybenzamide

SMILES

COc(cccc1)c1C(Nc(cc1)ccc1-n1nncc1C1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C26H28N4O2/c1-32-23-5-3-2-4-22(23)25(31)28-20-6-8-21(9-7-20)30-24(16-27-29-30)26-13-17-10-18(14-26)12-19(11-17)15-26/h2-9,16-19H,10-15H2,1H3,(H,28,31)

InChI Key

RSYNSMRUZIASMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04413047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.621

Distribution Coefficient, logD

5.619

Water Solubility, LogSw

-5.46

Polar Surface Area

56.978

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

K415-0042 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K415-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K415-0042?
Check Price and Availability of K415-0042, 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 K415-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K415-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K415-0042
  • 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 K415-0042 available by request