E629-1798 Screening compound: 2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide

E629-1798 Screening compound: 2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
E629-1798 Screening compound: 2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E629-1798
2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-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

E629-1798

Molecular Formula

C21H20ClN3O2S (C21 H20 ClN3 O2 S)

Compound Name

2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide

IUPAC name

2-[5-chloro-2-(thiophen-2-yl)-1H-indol-1-yl]-N-[2-(35-dimethyl-12-oxazol-4-yl)ethyl]acetamide

SMILES

Cc1noc(C)c1CCNC(Cn(c(-c1cccs1)c1)c(cc2)c1cc2Cl)=O

InChI

InChI=1S/C21H20ClN3O2S/c1-13-17(14(2)27-24-13)7-8-23-21(26)12-25-18-6-5-16(22)10-15(18)11-19(25)20-4-3-9-28-20/h3-6,9-11H,7-8,12H2,1-2H3,(H,23,26)

InChI Key

DOUNFBNKMHRPMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27600795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.93

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.569

Distribution Coefficient, logD

4.569

Water Solubility, LogSw

-4.59

Polar Surface Area

47.790

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

E629-1798 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E629-1798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E629-1798?
Check Price and Availability of E629-1798, 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 E629-1798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E629-1798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E629-1798
  • 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 E629-1798 available by request