E957-0127 Screening compound: N-{2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-2-phenoxypropanamide

E957-0127 Screening compound: N-{2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-2-phenoxypropanamide
E957-0127 Screening compound: N-{2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-2-phenoxypropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E957-0127
N-{2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-2-phenoxypropanamide

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

E957-0127

Molecular Formula

C27H25N3O6 (C27 H25 N3 O6)

Compound Name

N-{2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-2-phenoxypropanamide

IUPAC name

N-{2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-2-phenoxypropanamide

SMILES

CC(C(Nc1c(C(N(CC2)CCN2C(c2ccco2)=O)=O)oc2c1cccc2)=O)Oc1ccccc1

InChI

InChI=1S/C27H25N3O6/c1-18(35-19-8-3-2-4-9-19)25(31)28-23-20-10-5-6-11-21(20)36-24(23)27(33)30-15-13-29(14-16-30)26(32)22-12-7-17-34-22/h2-12,17-18H,13-16H2,1H3,(H,28,31)/t18-/m0/s1

InChI Key

BINGEVSVIMLOFD-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14931898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.219

Distribution Coefficient, logD

3.176

Water Solubility, LogSw

-3.35

Polar Surface Area

78.932

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

E957-0127 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E957-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E957-0127?
Check Price and Availability of E957-0127, 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 E957-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E957-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E957-0127
  • 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 E957-0127 available by request