E957-2159 Screening compound: 2,2-dimethyl-N-{2-[(4-propylpiperazino)carbonyl]-1-benzofuran-3-yl}propanamide

E957-2159 Screening compound: 2,2-dimethyl-N-{2-[(4-propylpiperazino)carbonyl]-1-benzofuran-3-yl}propanamide
E957-2159 Screening compound: 2,2-dimethyl-N-{2-[(4-propylpiperazino)carbonyl]-1-benzofuran-3-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E957-2159
2,2-dimethyl-N-{2-[(4-propylpiperazino)carbonyl]-1-benzofuran-3-yl}propanamide

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

E957-2159

Molecular Formula

C21H29N3O3 (C21 H29 N3 O3)

Compound Name

2,2-dimethyl-N-{2-[(4-propylpiperazino)carbonyl]-1-benzofuran-3-yl}propanamide

IUPAC name

22-dimethyl-N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide

SMILES

CCCN(CC1)CCN1C(c(oc1c2cccc1)c2NC(C(C)(C)C)=O)=O

InChI

InChI=1S/C21H29N3O3/c1-5-10-23-11-13-24(14-12-23)19(25)18-17(22-20(26)21(2,3)4)15-8-6-7-9-16(15)27-18/h6-9H,5,10-14H2,1-4H3,(H,22,26)

InChI Key

FIHYMQLDTQJWSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.714

Distribution Coefficient, logD

2.469

Water Solubility, LogSw

-2.87

Polar Surface Area

51.170

Acid Dissociation Constant (pKa)

8.18

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.38

References: we are preparing a list of scientific research reports with E957-2159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E957-2159?
Check Price and Availability of E957-2159, 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 E957-2159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E957-2159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E957-2159
  • 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 E957-2159 available by request