E629-1504 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[5-fluoro-2-(thiophen-2-yl)-1H-indol-1-yl]acetamide

E629-1504 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[5-fluoro-2-(thiophen-2-yl)-1H-indol-1-yl]acetamide
E629-1504 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[5-fluoro-2-(thiophen-2-yl)-1H-indol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E629-1504
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[5-fluoro-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

E629-1504

Molecular Formula

C22H17FN2O3S (C22 H17 FN2 O3 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[5-fluoro-2-(thiophen-2-yl)-1H-indol-1-yl]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[5-fluoro-2-(thiophen-2-yl)-1H-indol-1-yl]acetamide

SMILES

O=C(Cn(c(-c1cccs1)c1)c(cc2)c1cc2F)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C22H17FN2O3S/c23-16-4-5-17-15(9-16)10-18(21-2-1-7-29-21)25(17)12-22(26)24-11-14-3-6-19-20(8-14)28-13-27-19/h1-10H,11-13H2,(H,24,26)

InChI Key

XYNBBDCNBUPCJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27600700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.835

Distribution Coefficient, logD

4.835

Water Solubility, LogSw

-4.97

Polar Surface Area

43.026

Acid Dissociation Constant (pKa)

14.30

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

E629-1504 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E629-1504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E629-1504?
Check Price and Availability of E629-1504, 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 E629-1504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E629-1504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E629-1504
  • 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 E629-1504 available by request