K227-0424 Screening compound: methyl 4-[(2Z)-5-(hydroxymethyl)-8-methyl-2-{[4-(trifluoromethyl)phenyl]imino}-2H-pyrano[2,3-c]pyridine-3-amido]benzoate

K227-0424 Screening compound: methyl 4-[(2Z)-5-(hydroxymethyl)-8-methyl-2-{[4-(trifluoromethyl)phenyl]imino}-2H-pyrano[2,3-c]pyridine-3-amido]benzoate
K227-0424 Screening compound: methyl 4-[(2Z)-5-(hydroxymethyl)-8-methyl-2-{[4-(trifluoromethyl)phenyl]imino}-2H-pyrano[2,3-c]pyridine-3-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K227-0424
methyl 4-[(2Z)-5-(hydroxymethyl)-8-methyl-2-{[4-(trifluoromethyl)phenyl]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

K227-0424

Molecular Formula

C26H20F3N3O5 (C26 H20 F3 N3 O5)

Compound Name

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

IUPAC name

methyl 4-[(2Z)-5-(hydroxymethyl)-8-methyl-2-{[4-(trifluoromethyl)phenyl]imino}-2H-pyrano[23-c]pyridine-3-amido]benzoate

SMILES

Cc1ncc(CO)c(C=C2C(Nc(cc3)ccc3C(OC)=O)=O)c1O/C2=N\c1ccc(C(F)(F)F)cc1

InChI

InChI=1S/C26H20F3N3O5/c1-14-22-20(16(13-33)12-30-14)11-21(23(34)31-18-7-3-15(4-8-18)25(35)36-2)24(37-22)32-19-9-5-17(6-10-19)26(27,28)29/h3-12,33H,13H2,1-2H3,(H,31,34)

InChI Key

SCGXAXLHIMMHAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15082686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.118

Distribution Coefficient, logD

4.117

Water Solubility, LogSw

-4.23

Polar Surface Area

86.724

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with K227-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K227-0424?
Check Price and Availability of K227-0424, 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 K227-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K227-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K227-0424
  • 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 K227-0424 available by request