E629-1805 Screening compound: 2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

E629-1805 Screening compound: 2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
E629-1805 Screening compound: 2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E629-1805
2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]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

E629-1805

Molecular Formula

C25H22ClN3O2S (C25 H22 ClN3 O2 S)

Compound Name

2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

IUPAC name

2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

SMILES

COc(cc1)cc2c1[nH]cc2CCNC(Cn(c(-c1cccs1)c1)c(cc2)c1cc2Cl)=O

InChI

InChI=1S/C25H22ClN3O2S/c1-31-19-5-6-21-20(13-19)16(14-28-21)8-9-27-25(30)15-29-22-7-4-18(26)11-17(22)12-23(29)24-3-2-10-32-24/h2-7,10-14,28H,8-9,15H2,1H3,(H,27,30)

InChI Key

XOSWYEGEZZXZLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27600797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.99

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.707

Distribution Coefficient, logD

5.707

Water Solubility, LogSw

-6.00

Polar Surface Area

43.167

Acid Dissociation Constant (pKa)

14.10

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

E629-1805 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E629-1805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E629-1805?
Check Price and Availability of E629-1805, 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 E629-1805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E629-1805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E629-1805
  • 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 E629-1805 available by request