M530-1319 Screening compound: N-{3-methoxy-2-[(4-methylphenyl)carbamoyl]-1-benzofuran-5-yl}-2H-1,3-benzodioxole-5-carboxamide

M530-1319 Screening compound: N-{3-methoxy-2-[(4-methylphenyl)carbamoyl]-1-benzofuran-5-yl}-2H-1,3-benzodioxole-5-carboxamide
M530-1319 Screening compound: N-{3-methoxy-2-[(4-methylphenyl)carbamoyl]-1-benzofuran-5-yl}-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M530-1319
N-{3-methoxy-2-[(4-methylphenyl)carbamoyl]-1-benzofuran-5-yl}-2H-1,3-benzodioxole-5-carboxamide

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

M530-1319

Molecular Formula

C25H20N2O6 (C25 H20 N2 O6)

Compound Name

N-{3-methoxy-2-[(4-methylphenyl)carbamoyl]-1-benzofuran-5-yl}-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-{3-methoxy-2-[(4-methylphenyl)carbamoyl]-1-benzofuran-5-yl}-2H-13-benzodioxole-5-carboxamide

SMILES

Cc(cc1)ccc1NC(c(oc(cc1)c2cc1NC(c(cc1)cc3c1OCO3)=O)c2OC)=O

InChI

InChI=1S/C25H20N2O6/c1-14-3-6-16(7-4-14)26-25(29)23-22(30-2)18-12-17(8-10-19(18)33-23)27-24(28)15-5-9-20-21(11-15)32-13-31-20/h3-12H,13H2,1-2H3,(H,26,29)(H,27,28)

InChI Key

KXNJGAVSMUHCRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27546545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.077

Distribution Coefficient, logD

5.076

Water Solubility, LogSw

-4.93

Polar Surface Area

79.779

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

M530-1319 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with M530-1319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M530-1319?
Check Price and Availability of M530-1319, 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 M530-1319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M530-1319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M530-1319
  • 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 M530-1319 available by request