M466-0527 Screening compound: N-[3-(2-pyridyl)-5-isoxazolyl]-1H-indole-4-carboxamide

M466-0527 Screening compound: N-[3-(2-pyridyl)-5-isoxazolyl]-1H-indole-4-carboxamide
M466-0527 Screening compound: N-[3-(2-pyridyl)-5-isoxazolyl]-1H-indole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M466-0527
N-[3-(2-pyridyl)-5-isoxazolyl]-1H-indole-4-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

M466-0527

Molecular Formula

C17H12N4O2 (C17 H12 N4 O2)

Compound Name

N-[3-(2-pyridyl)-5-isoxazolyl]-1H-indole-4-carboxamide

IUPAC name

N-[3-(pyridin-2-yl)-12-oxazol-5-yl]-1H-indole-4-carboxamide

SMILES

O=C(c1c(cc[nH]2)c2ccc1)Nc1cc(-c2ncccc2)no1

InChI

InChI=1S/C17H12N4O2/c22-17(12-4-3-6-13-11(12)7-9-19-13)20-16-10-15(21-23-16)14-5-1-2-8-18-14/h1-10,19H,(H,20,22)

InChI Key

LZBDJZSLOJIOBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27543592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.487

Distribution Coefficient, logD

2.487

Water Solubility, LogSw

-3.12

Polar Surface Area

64.440

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

M466-0527 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M466-0527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M466-0527?
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What is the minimum amount of M466-0527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M466-0527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M466-0527
  • 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 M466-0527 available by request