K227-0225 Screening compound: [(2Z)-2-[(2,5-diethoxyphenyl)imino]-8-methyl-3-[(3-methylphenyl)carbamoyl]-2H-pyrano[2,3-c]pyridin-5-yl]methyl acetate

K227-0225 Screening compound: [(2Z)-2-[(2,5-diethoxyphenyl)imino]-8-methyl-3-[(3-methylphenyl)carbamoyl]-2H-pyrano[2,3-c]pyridin-5-yl]methyl acetate
K227-0225 Screening compound: [(2Z)-2-[(2,5-diethoxyphenyl)imino]-8-methyl-3-[(3-methylphenyl)carbamoyl]-2H-pyrano[2,3-c]pyridin-5-yl]methyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K227-0225
[(2Z)-2-[(2,5-diethoxyphenyl)imino]-8-methyl-3-[(3-methylphenyl)carbamoyl]-2H-pyrano[2,3-c]pyridin-5-yl]methyl acetate

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

K227-0225

Molecular Formula

C30H31N3O6 (C30 H31 N3 O6)

Compound Name

[(2Z)-2-[(2,5-diethoxyphenyl)imino]-8-methyl-3-[(3-methylphenyl)carbamoyl]-2H-pyrano[2,3-c]pyridin-5-yl]methyl acetate

IUPAC name

[(2Z)-2-[(25-diethoxyphenyl)imino]-8-methyl-3-[(3-methylphenyl)carbamoyl]-2H-pyrano[23-c]pyridin-5-yl]methyl acetate

SMILES

CCOc(cc1)cc(/N=C(/C(C(Nc2cc(C)ccc2)=O)=C2)\Oc3c2c(COC(C)=O)cnc3C)c1OCC

InChI

InChI=1S/C30H31N3O6/c1-6-36-23-11-12-27(37-7-2)26(14-23)33-30-25(29(35)32-22-10-8-9-18(3)13-22)15-24-21(17-38-20(5)34)16-31-19(4)28(24)39-30/h8-16H,6-7,17H2,1-5H3,(H,32,35)

InChI Key

LSIDMPOIEUWYGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03450181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.125

Distribution Coefficient, logD

5.125

Water Solubility, LogSw

-4.92

Polar Surface Area

83.302

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

K227-0225 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K227-0225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K227-0225?
Check Price and Availability of K227-0225, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K227-0225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K227-0225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K227-0225
  • 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 K227-0225 available by request