Y205-4430 Screening compound: diethyl 5-[(1,3-benzodioxol-5-ylcarbonyl)amino]isophthalate

Y205-4430 Screening compound: diethyl 5-[(1,3-benzodioxol-5-ylcarbonyl)amino]isophthalate
Y205-4430 Screening compound: diethyl 5-[(1,3-benzodioxol-5-ylcarbonyl)amino]isophthalate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-4430
diethyl 5-[(1,3-benzodioxol-5-ylcarbonyl)amino]isophthalate

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

Y205-4430

Molecular Formula

C20H19NO7 (C20 H19 NO7)

Compound Name

diethyl 5-[(1,3-benzodioxol-5-ylcarbonyl)amino]isophthalate

IUPAC name

13-diethyl 5-(2H-13-benzodioxole-5-amido)benzene-13-dicarboxylate

SMILES

CCOC(c1cc(C(OCC)=O)cc(NC(c(cc2)cc3c2OCO3)=O)c1)=O

InChI

InChI=1S/C20H19NO7/c1-3-25-19(23)13-7-14(20(24)26-4-2)9-15(8-13)21-18(22)12-5-6-16-17(10-12)28-11-27-16/h5-10H,3-4,11H2,1-2H3,(H,21,22)

InChI Key

XMEJRDPNCITDIH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.453

Distribution Coefficient, logD

4.453

Water Solubility, LogSw

-4.36

Polar Surface Area

81.952

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-5.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with Y205-4430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-4430?
Check Price and Availability of Y205-4430, 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 Y205-4430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-4430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-4430
  • 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 Y205-4430 available by request