E542-1046 Screening compound: 3-{1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}-N-[(3-methoxyphenyl)methyl]propanamide

E542-1046 Screening compound: 3-{1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}-N-[(3-methoxyphenyl)methyl]propanamide
E542-1046 Screening compound: 3-{1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}-N-[(3-methoxyphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E542-1046
3-{1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}-N-[(3-methoxyphenyl)methyl]propanamide

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

E542-1046

Molecular Formula

C26H25ClN2O2 (C26 H25 ClN2 O2)

Compound Name

3-{1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}-N-[(3-methoxyphenyl)methyl]propanamide

IUPAC name

3-{1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}-N-[(3-methoxyphenyl)methyl]propanamide

SMILES

COc1cccc(CNC(CCc2cn(Cc(cc3)ccc3Cl)c3c2cccc3)=O)c1

InChI

InChI=1S/C26H25ClN2O2/c1-31-23-6-4-5-20(15-23)16-28-26(30)14-11-21-18-29(25-8-3-2-7-24(21)25)17-19-9-12-22(27)13-10-19/h2-10,12-13,15,18H,11,14,16-17H2,1H3,(H,28,30)

InChI Key

VLAGMKXQBOQIEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14897396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.95

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.419

Distribution Coefficient, logD

5.419

Water Solubility, LogSw

-5.99

Polar Surface Area

33.714

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with E542-1046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E542-1046?
Check Price and Availability of E542-1046, 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 E542-1046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E542-1046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E542-1046
  • 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 E542-1046 available by request