K219-0965 Screening compound: 1,3-dimethyl 5-(6-methoxy-2-oxo-2H-chromene-3-amido)benzene-1,3-dicarboxylate

K219-0965 Screening compound: 1,3-dimethyl 5-(6-methoxy-2-oxo-2H-chromene-3-amido)benzene-1,3-dicarboxylate
K219-0965 Screening compound: 1,3-dimethyl 5-(6-methoxy-2-oxo-2H-chromene-3-amido)benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K219-0965
1,3-dimethyl 5-(6-methoxy-2-oxo-2H-chromene-3-amido)benzene-1,3-dicarboxylate

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

K219-0965

Molecular Formula

C21H17NO8 (C21 H17 NO8)

Compound Name

1,3-dimethyl 5-(6-methoxy-2-oxo-2H-chromene-3-amido)benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-(6-methoxy-2-oxo-2H-chromene-3-amido)benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(C2=Cc(cc(cc3)OC)c3OC2=O)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C21H17NO8/c1-27-15-4-5-17-11(9-15)10-16(21(26)30-17)18(23)22-14-7-12(19(24)28-2)6-13(8-14)20(25)29-3/h4-10H,1-3H3,(H,22,23)

InChI Key

GCKKVAWADZPOAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01933661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.37

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.371

Distribution Coefficient, logD

3.352

Water Solubility, LogSw

-3.67

Polar Surface Area

94.143

Acid Dissociation Constant (pKa)

8.76

Base Dissociation Constant (pKb)

-4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with K219-0965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K219-0965?
Check Price and Availability of K219-0965, 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 K219-0965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K219-0965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K219-0965
  • 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 K219-0965 available by request