K227-0685 Screening compound: ethyl 3-{[(2Z)-5-(hydroxymethyl)-3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate

K227-0685 Screening compound: ethyl 3-{[(2Z)-5-(hydroxymethyl)-3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate
K227-0685 Screening compound: ethyl 3-{[(2Z)-5-(hydroxymethyl)-3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K227-0685
ethyl 3-{[(2Z)-5-(hydroxymethyl)-3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-8-methyl-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

K227-0685

Molecular Formula

C28H25N3O7 (C28 H25 N3 O7)

Compound Name

ethyl 3-{[(2Z)-5-(hydroxymethyl)-3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate

IUPAC name

ethyl 3-{[(2Z)-5-(hydroxymethyl)-3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-8-methyl-2H-pyrano[23-c]pyridin-2-ylidene]amino}benzoate

SMILES

CCOC(c1cc(/N=C(/C(C(Nc(cc2)ccc2C(OC)=O)=O)=C2)\Oc3c2c(CO)cnc3C)ccc1)=O

InChI

InChI=1S/C28H25N3O7/c1-4-37-28(35)18-6-5-7-21(12-18)31-26-23(13-22-19(15-32)14-29-16(2)24(22)38-26)25(33)30-20-10-8-17(9-11-20)27(34)36-3/h5-14,32H,4,15H2,1-3H3,(H,30,33)

InChI Key

WTZFHHRBEDYKNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15082851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.020

Distribution Coefficient, logD

4.019

Water Solubility, LogSw

-4.12

Polar Surface Area

107.477

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with K227-0685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K227-0685?
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What is the minimum amount of K227-0685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K227-0685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K227-0685
  • 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 K227-0685 available by request