E542-1291 Screening compound: 3-{1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}-N-propylpropanamide

E542-1291 Screening compound: 3-{1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}-N-propylpropanamide
E542-1291 Screening compound: 3-{1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}-N-propylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E542-1291
3-{1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}-N-propylpropanamide

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

E542-1291

Molecular Formula

C21H23ClN2O (C21 H23 ClN2 O)

Compound Name

3-{1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}-N-propylpropanamide

IUPAC name

3-{1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}-N-propylpropanamide

SMILES

CCCNC(CCc1cn(Cc(cccc2)c2Cl)c2c1cccc2)=O

InChI

InChI=1S/C21H23ClN2O/c1-2-13-23-21(25)12-11-16-14-24(20-10-6-4-8-18(16)20)15-17-7-3-5-9-19(17)22/h3-10,14H,2,11-13,15H2,1H3,(H,23,25)

InChI Key

AUNGJDDDPPFXOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14897420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.88

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.443

Distribution Coefficient, logD

4.443

Water Solubility, LogSw

-4.30

Polar Surface Area

26.284

Acid Dissociation Constant (pKa)

15.11

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

E542-1291 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E542-1291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E542-1291?
Check Price and Availability of E542-1291, 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 E542-1291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E542-1291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E542-1291
  • 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 E542-1291 available by request