E957-0314 Screening compound: 3-(2-fluorobenzamido)-N-[(furan-2-yl)methyl]-N-[(oxolan-2-yl)methyl]-1-benzofuran-2-carboxamide

E957-0314 Screening compound: 3-(2-fluorobenzamido)-N-[(furan-2-yl)methyl]-N-[(oxolan-2-yl)methyl]-1-benzofuran-2-carboxamide
E957-0314 Screening compound: 3-(2-fluorobenzamido)-N-[(furan-2-yl)methyl]-N-[(oxolan-2-yl)methyl]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E957-0314
3-(2-fluorobenzamido)-N-[(furan-2-yl)methyl]-N-[(oxolan-2-yl)methyl]-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

E957-0314

Molecular Formula

C26H23FN2O5 (C26 H23 FN2 O5)

Compound Name

3-(2-fluorobenzamido)-N-[(furan-2-yl)methyl]-N-[(oxolan-2-yl)methyl]-1-benzofuran-2-carboxamide

IUPAC name

3-(2-fluorobenzamido)-N-[(furan-2-yl)methyl]-N-[(oxolan-2-yl)methyl]-1-benzofuran-2-carboxamide

SMILES

O=C(c(oc1c2cccc1)c2NC(c(cccc1)c1F)=O)N(CC1OCCC1)Cc1ccco1

InChI

InChI=1S/C26H23FN2O5/c27-21-11-3-1-9-19(21)25(30)28-23-20-10-2-4-12-22(20)34-24(23)26(31)29(15-17-7-5-13-32-17)16-18-8-6-14-33-18/h1-5,7,9-13,18H,6,8,14-16H2,(H,28,30)/t18-/m1/s1

InChI Key

HJZQONKETMJIDE-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27094128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.699

Distribution Coefficient, logD

2.743

Water Solubility, LogSw

-4.12

Polar Surface Area

62.802

Acid Dissociation Constant (pKa)

6.49

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

E957-0314 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E957-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E957-0314?
Check Price and Availability of E957-0314, 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 E957-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E957-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E957-0314
  • 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 E957-0314 available by request