E629-0231 Screening compound: N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-2-[2-(thiophen-2-yl)-1H-indol-1-yl]acetamide

E629-0231 Screening compound: N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-2-[2-(thiophen-2-yl)-1H-indol-1-yl]acetamide
E629-0231 Screening compound: N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-2-[2-(thiophen-2-yl)-1H-indol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E629-0231
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-2-[2-(thiophen-2-yl)-1H-indol-1-yl]acetamide

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

E629-0231

Molecular Formula

C29H34N4OS (C29 H34 N4 OS)

Compound Name

N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-2-[2-(thiophen-2-yl)-1H-indol-1-yl]acetamide

IUPAC name

N-{3-[4-(25-dimethylphenyl)piperazin-1-yl]propyl}-2-[2-(thiophen-2-yl)-1H-indol-1-yl]acetamide

SMILES

Cc1cc(N2CCN(CCCNC(Cn(c(-c3cccs3)c3)c4c3cccc4)=O)CC2)c(C)cc1

InChI

InChI=1S/C29H34N4OS/c1-22-10-11-23(2)26(19-22)32-16-14-31(15-17-32)13-6-12-30-29(34)21-33-25-8-4-3-7-24(25)20-27(33)28-9-5-18-35-28/h3-5,7-11,18-20H,6,12-17,21H2,1-2H3,(H,30,34)

InChI Key

QRMJQGCVMVJRLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27600653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.68

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.759

Distribution Coefficient, logD

4.558

Water Solubility, LogSw

-6.20

Polar Surface Area

32.694

Acid Dissociation Constant (pKa)

15.31

Base Dissociation Constant (pKb)

8.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

E629-0231 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E629-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E629-0231?
Check Price and Availability of E629-0231, 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 E629-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E629-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E629-0231
  • 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 E629-0231 available by request