M530-1151 Screening compound: N-[3-methoxy-2-(phenylcarbamoyl)-1-benzofuran-5-yl]isoquinoline-1-carboxamide

M530-1151 Screening compound: N-[3-methoxy-2-(phenylcarbamoyl)-1-benzofuran-5-yl]isoquinoline-1-carboxamide
M530-1151 Screening compound: N-[3-methoxy-2-(phenylcarbamoyl)-1-benzofuran-5-yl]isoquinoline-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M530-1151
N-[3-methoxy-2-(phenylcarbamoyl)-1-benzofuran-5-yl]isoquinoline-1-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

M530-1151

Molecular Formula

C26H19N3O4 (C26 H19 N3 O4)

Compound Name

N-[3-methoxy-2-(phenylcarbamoyl)-1-benzofuran-5-yl]isoquinoline-1-carboxamide

IUPAC name

N-[3-methoxy-2-(phenylcarbamoyl)-1-benzofuran-5-yl]isoquinoline-1-carboxamide

SMILES

COc1c(C(Nc2ccccc2)=O)oc(cc2)c1cc2NC(c1nccc2ccccc12)=O

InChI

InChI=1S/C26H19N3O4/c1-32-23-20-15-18(29-25(30)22-19-10-6-5-7-16(19)13-14-27-22)11-12-21(20)33-24(23)26(31)28-17-8-3-2-4-9-17/h2-15H,1H3,(H,28,31)(H,29,30)

InChI Key

BZIFBCBOHQQFOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27546535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.773

Distribution Coefficient, logD

4.772

Water Solubility, LogSw

-5.22

Polar Surface Area

72.211

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

M530-1151 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with M530-1151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M530-1151?
Check Price and Availability of M530-1151, 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 M530-1151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M530-1151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M530-1151
  • 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 M530-1151 available by request