K227-0333 Screening compound: methyl 4-{[(2Z)-5-[(acetyloxy)methyl]-8-methyl-3-[(4-methylphenyl)carbamoyl]-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate

K227-0333 Screening compound: methyl 4-{[(2Z)-5-[(acetyloxy)methyl]-8-methyl-3-[(4-methylphenyl)carbamoyl]-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate
K227-0333 Screening compound: methyl 4-{[(2Z)-5-[(acetyloxy)methyl]-8-methyl-3-[(4-methylphenyl)carbamoyl]-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K227-0333
methyl 4-{[(2Z)-5-[(acetyloxy)methyl]-8-methyl-3-[(4-methylphenyl)carbamoyl]-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}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

K227-0333

Molecular Formula

C28H25N3O6 (C28 H25 N3 O6)

Compound Name

methyl 4-{[(2Z)-5-[(acetyloxy)methyl]-8-methyl-3-[(4-methylphenyl)carbamoyl]-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate

IUPAC name

methyl 4-{[(2Z)-5-[(acetyloxy)methyl]-8-methyl-3-[(4-methylphenyl)carbamoyl]-2H-pyrano[23-c]pyridin-2-ylidene]amino}benzoate

SMILES

CC(OCc1cnc(C)c(O2)c1C=C(C(Nc1ccc(C)cc1)=O)/C2=N/c(cc1)ccc1C(OC)=O)=O

InChI

InChI=1S/C28H25N3O6/c1-16-5-9-21(10-6-16)30-26(33)24-13-23-20(15-36-18(3)32)14-29-17(2)25(23)37-27(24)31-22-11-7-19(8-12-22)28(34)35-4/h5-14H,15H2,1-4H3,(H,30,33)

InChI Key

WNSFFJRDTZLFEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03450207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.230

Distribution Coefficient, logD

4.230

Water Solubility, LogSw

-4.33

Polar Surface Area

90.840

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with K227-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K227-0333?
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What is the minimum amount of K227-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K227-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K227-0333
  • 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 K227-0333 available by request