K227-0440 Screening compound: methyl 4-[(2Z)-5-(hydroxymethyl)-8-methyl-2-[(3,4,5-trimethoxyphenyl)imino]-2H-pyrano[2,3-c]pyridine-3-amido]benzoate

K227-0440 Screening compound: methyl 4-[(2Z)-5-(hydroxymethyl)-8-methyl-2-[(3,4,5-trimethoxyphenyl)imino]-2H-pyrano[2,3-c]pyridine-3-amido]benzoate
K227-0440 Screening compound: methyl 4-[(2Z)-5-(hydroxymethyl)-8-methyl-2-[(3,4,5-trimethoxyphenyl)imino]-2H-pyrano[2,3-c]pyridine-3-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K227-0440
methyl 4-[(2Z)-5-(hydroxymethyl)-8-methyl-2-[(3,4,5-trimethoxyphenyl)imino]-2H-pyrano[2,3-c]pyridine-3-amido]benzoate

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

K227-0440

Molecular Formula

C28H27N3O8 (C28 H27 N3 O8)

Compound Name

methyl 4-[(2Z)-5-(hydroxymethyl)-8-methyl-2-[(3,4,5-trimethoxyphenyl)imino]-2H-pyrano[2,3-c]pyridine-3-amido]benzoate

IUPAC name

methyl 4-[(2Z)-5-(hydroxymethyl)-8-methyl-2-[(345-trimethoxyphenyl)imino]-2H-pyrano[23-c]pyridine-3-amido]benzoate

SMILES

Cc1ncc(CO)c(C=C2C(Nc(cc3)ccc3C(OC)=O)=O)c1O/C2=N\c(cc1OC)cc(OC)c1OC

InChI

InChI=1S/C28H27N3O8/c1-15-24-20(17(14-32)13-29-15)12-21(26(33)30-18-8-6-16(7-9-18)28(34)38-5)27(39-24)31-19-10-22(35-2)25(37-4)23(11-19)36-3/h6-13,32H,14H2,1-5H3,(H,30,33)

InChI Key

PCZCVUAVRSKWQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15082698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.024

Distribution Coefficient, logD

3.023

Water Solubility, LogSw

-3.37

Polar Surface Area

109.702

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with K227-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K227-0440?
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What is the minimum amount of K227-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K227-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K227-0440
  • 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 K227-0440 available by request