K227-0328 Screening compound: [(2Z)-8-methyl-3-[(4-methylphenyl)carbamoyl]-2-{[4-(trifluoromethoxy)phenyl]imino}-2H-pyrano[2,3-c]pyridin-5-yl]methyl acetate

K227-0328 Screening compound: [(2Z)-8-methyl-3-[(4-methylphenyl)carbamoyl]-2-{[4-(trifluoromethoxy)phenyl]imino}-2H-pyrano[2,3-c]pyridin-5-yl]methyl acetate
K227-0328 Screening compound: [(2Z)-8-methyl-3-[(4-methylphenyl)carbamoyl]-2-{[4-(trifluoromethoxy)phenyl]imino}-2H-pyrano[2,3-c]pyridin-5-yl]methyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K227-0328
[(2Z)-8-methyl-3-[(4-methylphenyl)carbamoyl]-2-{[4-(trifluoromethoxy)phenyl]imino}-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

K227-0328

Molecular Formula

C27H22F3N3O5 (C27 H22 F3 N3 O5)

Compound Name

[(2Z)-8-methyl-3-[(4-methylphenyl)carbamoyl]-2-{[4-(trifluoromethoxy)phenyl]imino}-2H-pyrano[2,3-c]pyridin-5-yl]methyl acetate

IUPAC name

[(2Z)-8-methyl-3-[(4-methylphenyl)carbamoyl]-2-{[4-(trifluoromethoxy)phenyl]imino}-2H-pyrano[23-c]pyridin-5-yl]methyl acetate

SMILES

CC(OCc1cnc(C)c(O2)c1C=C(C(Nc1ccc(C)cc1)=O)/C2=N/c(cc1)ccc1OC(F)(F)F)=O

InChI

InChI=1S/C27H22F3N3O5/c1-15-4-6-19(7-5-15)32-25(35)23-12-22-18(14-36-17(3)34)13-31-16(2)24(22)37-26(23)33-20-8-10-21(11-9-20)38-27(28,29)30/h4-13H,14H2,1-3H3,(H,32,35)

InChI Key

WUJRJRSVZLDBHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03450202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.331

Distribution Coefficient, logD

5.330

Water Solubility, LogSw

-5.20

Polar Surface Area

75.602

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with K227-0328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K227-0328?
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What is the minimum amount of K227-0328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K227-0328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K227-0328
  • 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 K227-0328 available by request