K227-0444 Screening compound: methyl 4-[(2Z)-2-[(2,5-diethoxyphenyl)imino]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-amido]benzoate

K227-0444 Screening compound: methyl 4-[(2Z)-2-[(2,5-diethoxyphenyl)imino]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-amido]benzoate
K227-0444 Screening compound: methyl 4-[(2Z)-2-[(2,5-diethoxyphenyl)imino]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K227-0444
methyl 4-[(2Z)-2-[(2,5-diethoxyphenyl)imino]-5-(hydroxymethyl)-8-methyl-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

K227-0444

Molecular Formula

C29H29N3O7 (C29 H29 N3 O7)

Compound Name

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

IUPAC name

methyl 4-[(2Z)-2-[(25-diethoxyphenyl)imino]-5-(hydroxymethyl)-8-methyl-2H-pyrano[23-c]pyridine-3-amido]benzoate

SMILES

CCOc(cc1)cc(/N=C(/C(C(Nc(cc2)ccc2C(OC)=O)=O)=C2)\Oc3c2c(CO)cnc3C)c1OCC

InChI

InChI=1S/C29H29N3O7/c1-5-37-21-11-12-25(38-6-2)24(13-21)32-28-23(14-22-19(16-33)15-30-17(3)26(22)39-28)27(34)31-20-9-7-18(8-10-20)29(35)36-4/h7-15,33H,5-6,16H2,1-4H3,(H,31,34)

InChI Key

BGVXGJRYVFOJMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15082702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.294

Distribution Coefficient, logD

4.293

Water Solubility, LogSw

-4.34

Polar Surface Area

100.360

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with K227-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K227-0444?
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What is the minimum amount of K227-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K227-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K227-0444
  • 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 K227-0444 available by request