K227-0540 Screening compound: (2Z)-2-[(3,5-dimethoxyphenyl)imino]-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2H-pyrano[2,3-c]pyridine-3-carboxamide

K227-0540 Screening compound: (2Z)-2-[(3,5-dimethoxyphenyl)imino]-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2H-pyrano[2,3-c]pyridine-3-carboxamide
K227-0540 Screening compound: (2Z)-2-[(3,5-dimethoxyphenyl)imino]-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2H-pyrano[2,3-c]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K227-0540
(2Z)-2-[(3,5-dimethoxyphenyl)imino]-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-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

K227-0540

Molecular Formula

C26H22F3N3O5 (C26 H22 F3 N3 O5)

Compound Name

(2Z)-2-[(3,5-dimethoxyphenyl)imino]-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2H-pyrano[2,3-c]pyridine-3-carboxamide

IUPAC name

(2Z)-2-[(35-dimethoxyphenyl)imino]-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2H-pyrano[23-c]pyridine-3-carboxamide

SMILES

Cc1ncc(CO)c(C=C2C(Nc3cccc(C(F)(F)F)c3)=O)c1O/C2=N\c1cc(OC)cc(OC)c1

InChI

InChI=1S/C26H22F3N3O5/c1-14-23-21(15(13-33)12-30-14)11-22(24(34)31-17-6-4-5-16(7-17)26(27,28)29)25(37-23)32-18-8-19(35-2)10-20(9-18)36-3/h4-12,33H,13H2,1-3H3,(H,31,34)

InChI Key

HMEANWVTWGKXBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15082748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.614

Distribution Coefficient, logD

4.610

Water Solubility, LogSw

-4.44

Polar Surface Area

80.637

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

K227-0540 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K227-0540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K227-0540?
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What is the minimum amount of K227-0540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K227-0540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K227-0540
  • 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 K227-0540 available by request