E957-1865 Screening compound: N-{2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-2-methylpropanamide

E957-1865 Screening compound: N-{2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-2-methylpropanamide
E957-1865 Screening compound: N-{2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E957-1865
N-{2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-2-methylpropanamide

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

E957-1865

Molecular Formula

C24H27N3O4 (C24 H27 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(Nc1c(C(N(CC2)CCN2c(cccc2)c2OC)=O)oc2c1cccc2)=O

InChI

InChI=1S/C24H27N3O4/c1-16(2)23(28)25-21-17-8-4-6-10-19(17)31-22(21)24(29)27-14-12-26(13-15-27)18-9-5-7-11-20(18)30-3/h4-11,16H,12-15H2,1-3H3,(H,25,28)

InChI Key

QTINXWAOYWPETL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.797

Distribution Coefficient, logD

3.758

Water Solubility, LogSw

-3.98

Polar Surface Area

57.970

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E957-1865 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 E957-1865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E957-1865?
Check Price and Availability of E957-1865, 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 E957-1865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E957-1865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E957-1865
  • 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 E957-1865 available by request