E629-1668 Screening compound: 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]ethan-1-one

E629-1668 Screening compound: 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]ethan-1-one
E629-1668 Screening compound: 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E629-1668
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-[5-chloro-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

E629-1668

Molecular Formula

C26H24ClN3O3S (C26 H24 ClN3 O3 S)

Compound Name

1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]ethan-1-one

IUPAC name

1-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]ethan-1-one

SMILES

O=C(Cn(c(-c1cccs1)c1)c(cc2)c1cc2Cl)N1CCN(Cc(cc2)cc3c2OCO3)CC1

InChI

InChI=1S/C26H24ClN3O3S/c27-20-4-5-21-19(13-20)14-22(25-2-1-11-34-25)30(21)16-26(31)29-9-7-28(8-10-29)15-18-3-6-23-24(12-18)33-17-32-23/h1-6,11-14H,7-10,15-17H2

InChI Key

HOVMFASHLWKXNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27600755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.01

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.122

Distribution Coefficient, logD

4.930

Water Solubility, LogSw

-5.52

Polar Surface Area

38.488

Acid Dissociation Constant (pKa)

21.79

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

E629-1668 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E629-1668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E629-1668?
Check Price and Availability of E629-1668, 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 E629-1668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E629-1668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E629-1668
  • 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 E629-1668 available by request