E629-1660 Screening compound: 2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethan-1-one

E629-1660 Screening compound: 2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethan-1-one
E629-1660 Screening compound: 2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E629-1660
2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]-1-[3-methyl-4-(3-methylphenyl)piperazin-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

E629-1660

Molecular Formula

C26H26ClN3OS (C26 H26 ClN3 OS)

Compound Name

2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethan-1-one

IUPAC name

2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethan-1-one

SMILES

CC(CN(CC1)C(Cn(c(-c2cccs2)c2)c(cc3)c2cc3Cl)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C26H26ClN3OS/c1-18-5-3-6-22(13-18)29-11-10-28(16-19(29)2)26(31)17-30-23-9-8-21(27)14-20(23)15-24(30)25-7-4-12-32-25/h3-9,12-15,19H,10-11,16-17H2,1-2H3/t19-/m0/s1

InChI Key

NAHPLOYLHKCRDY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27600749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.03

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.481

Distribution Coefficient, logD

6.481

Water Solubility, LogSw

-6.24

Polar Surface Area

20.310

Acid Dissociation Constant (pKa)

21.79

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

E629-1660 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 E629-1660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E629-1660?
Check Price and Availability of E629-1660, 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 E629-1660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E629-1660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E629-1660
  • 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 E629-1660 available by request