K227-0045 Screening compound: 5-(hydroxymethyl)-2-imino-8-methyl-N-(naphthalen-1-yl)-2H-pyrano[2,3-c]pyridine-3-carboxamide

K227-0045 Screening compound: 5-(hydroxymethyl)-2-imino-8-methyl-N-(naphthalen-1-yl)-2H-pyrano[2,3-c]pyridine-3-carboxamide
K227-0045 Screening compound: 5-(hydroxymethyl)-2-imino-8-methyl-N-(naphthalen-1-yl)-2H-pyrano[2,3-c]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K227-0045
5-(hydroxymethyl)-2-imino-8-methyl-N-(naphthalen-1-yl)-2H-pyrano[2,3-c]pyridine-3-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

K227-0045

Molecular Formula

C21H17N3O3 (C21 H17 N3 O3)

Compound Name

5-(hydroxymethyl)-2-imino-8-methyl-N-(naphthalen-1-yl)-2H-pyrano[2,3-c]pyridine-3-carboxamide

IUPAC name

5-(hydroxymethyl)-2-imino-8-methyl-N-(naphthalen-1-yl)-2H-pyrano[23-c]pyridine-3-carboxamide

SMILES

Cc1ncc(CO)c(C=C2C(Nc3cccc4ccccc34)=O)c1OC2=N

InChI

InChI=1S/C21H17N3O3/c1-12-19-16(14(11-25)10-23-12)9-17(20(22)27-19)21(26)24-18-8-4-6-13-5-2-3-7-15(13)18/h2-10,22,25H,11H2,1H3,(H,24,26)

InChI Key

HOEHDABWXPGNRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15082465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.232

Distribution Coefficient, logD

2.230

Water Solubility, LogSw

-2.86

Polar Surface Area

74.112

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

K227-0045 in Drug Discovery

Included in Screening Libraries

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

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with K227-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K227-0045?
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What is the minimum amount of K227-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K227-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K227-0045
  • 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 K227-0045 available by request