M530-1189 Screening compound: 3-methoxy-N-phenyl-5-[(2E)-3-(thiophen-2-yl)prop-2-enamido]-1-benzofuran-2-carboxamide

M530-1189 Screening compound: 3-methoxy-N-phenyl-5-[(2E)-3-(thiophen-2-yl)prop-2-enamido]-1-benzofuran-2-carboxamide
M530-1189 Screening compound: 3-methoxy-N-phenyl-5-[(2E)-3-(thiophen-2-yl)prop-2-enamido]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M530-1189
3-methoxy-N-phenyl-5-[(2E)-3-(thiophen-2-yl)prop-2-enamido]-1-benzofuran-2-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

M530-1189

Molecular Formula

C23H18N2O4S (C23 H18 N2 O4 S)

Compound Name

3-methoxy-N-phenyl-5-[(2E)-3-(thiophen-2-yl)prop-2-enamido]-1-benzofuran-2-carboxamide

IUPAC name

3-methoxy-N-phenyl-5-[(2E)-3-(thiophen-2-yl)prop-2-enamido]-1-benzofuran-2-carboxamide

SMILES

COc1c(C(Nc2ccccc2)=O)oc(cc2)c1cc2NC(/C=C/c1cccs1)=O

InChI

InChI=1S/C23H18N2O4S/c1-28-21-18-14-16(24-20(26)12-10-17-8-5-13-30-17)9-11-19(18)29-22(21)23(27)25-15-6-3-2-4-7-15/h2-14H,1H3,(H,24,26)(H,25,27)

InChI Key

HWDLNBJWQDQHFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27546539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.681

Distribution Coefficient, logD

4.680

Water Solubility, LogSw

-4.52

Polar Surface Area

63.469

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

M530-1189 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with M530-1189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M530-1189?
Check Price and Availability of M530-1189, 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 M530-1189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M530-1189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M530-1189
  • 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 M530-1189 available by request