Y040-8826 Screening compound: 3-({5-[(4-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-yl}formamido)propanoic acid

Y040-8826 Screening compound: 3-({5-[(4-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-yl}formamido)propanoic acid
Y040-8826 Screening compound: 3-({5-[(4-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-yl}formamido)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8826
3-({5-[(4-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-yl}formamido)propanoic acid

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

Y040-8826

Molecular Formula

C20H18FNO5 (C20 H18 FNO5)

Compound Name

3-({5-[(4-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-yl}formamido)propanoic acid

IUPAC name

3-({5-[(4-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-yl}formamido)propanoic acid

SMILES

Cc1c(C(NCCC(O)=O)=O)c(cc(cc2)OCc(cc3)ccc3F)c2o1

InChI

InChI=1S/C20H18FNO5/c1-12-19(20(25)22-9-8-18(23)24)16-10-15(6-7-17(16)27-12)26-11-13-2-4-14(21)5-3-13/h2-7,10H,8-9,11H2,1H3,(H,22,25)(H,23,24)

InChI Key

WMBWPHMTPZJCCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09846900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.397

Distribution Coefficient, logD

-0.299

Water Solubility, LogSw

-2.71

Polar Surface Area

68.324

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y040-8826 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 Y040-8826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8826?
Check Price and Availability of Y040-8826, 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 Y040-8826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8826
  • 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 Y040-8826 available by request