E629-0286 Screening compound: 1-(4-benzylpiperazin-1-yl)-2-[2-(thiophen-2-yl)-1H-indol-1-yl]ethan-1-one

E629-0286 Screening compound: 1-(4-benzylpiperazin-1-yl)-2-[2-(thiophen-2-yl)-1H-indol-1-yl]ethan-1-one
E629-0286 Screening compound: 1-(4-benzylpiperazin-1-yl)-2-[2-(thiophen-2-yl)-1H-indol-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E629-0286
1-(4-benzylpiperazin-1-yl)-2-[2-(thiophen-2-yl)-1H-indol-1-yl]ethan-1-one

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

E629-0286

Molecular Formula

C25H25N3OS (C25 H25 N3 OS)

Compound Name

1-(4-benzylpiperazin-1-yl)-2-[2-(thiophen-2-yl)-1H-indol-1-yl]ethan-1-one

IUPAC name

1-(4-benzylpiperazin-1-yl)-2-[2-(thiophen-2-yl)-1H-indol-1-yl]ethan-1-one

SMILES

O=C(Cn(c(-c1cccs1)c1)c2c1cccc2)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C25H25N3OS/c29-25(27-14-12-26(13-15-27)18-20-7-2-1-3-8-20)19-28-22-10-5-4-9-21(22)17-23(28)24-11-6-16-30-24/h1-11,16-17H,12-15,18-19H2

InChI Key

MKVHKSDQJXSPCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27600668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.522

Distribution Coefficient, logD

4.507

Water Solubility, LogSw

-4.53

Polar Surface Area

21.372

Acid Dissociation Constant (pKa)

22.56

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

E629-0286 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E629-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E629-0286?
Check Price and Availability of E629-0286, 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 E629-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E629-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E629-0286
  • 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 E629-0286 available by request