4237-0414 Screening compound: 2-[1-benzyl-3-(phenylsulfanyl)-1H-indol-2-yl]-N-(4-methoxyphenyl)acetamide

4237-0414 Screening compound: 2-[1-benzyl-3-(phenylsulfanyl)-1H-indol-2-yl]-N-(4-methoxyphenyl)acetamide
4237-0414 Screening compound: 2-[1-benzyl-3-(phenylsulfanyl)-1H-indol-2-yl]-N-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4237-0414
2-[1-benzyl-3-(phenylsulfanyl)-1H-indol-2-yl]-N-(4-methoxyphenyl)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

4237-0414

Molecular Formula

C30H26N2O2S (C30 H26 N2 O2 S)

Compound Name

2-[1-benzyl-3-(phenylsulfanyl)-1H-indol-2-yl]-N-(4-methoxyphenyl)acetamide

IUPAC name

2-[1-benzyl-3-(phenylsulfanyl)-1H-indol-2-yl]-N-(4-methoxyphenyl)acetamide

SMILES

COc(cc1)ccc1NC(Cc(n(Cc1ccccc1)c1c2cccc1)c2Sc1ccccc1)=O

InChI

InChI=1S/C30H26N2O2S/c1-34-24-18-16-23(17-19-24)31-29(33)20-28-30(35-25-12-6-3-7-13-25)26-14-8-9-15-27(26)32(28)21-22-10-4-2-5-11-22/h2-19H,20-21H2,1H3,(H,31,33)

InChI Key

BKDIELWMMVMBRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.830

Distribution Coefficient, logD

6.830

Water Solubility, LogSw

-5.97

Polar Surface Area

31.099

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 4237-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4237-0414?
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What is the minimum amount of 4237-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4237-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4237-0414
  • 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 4237-0414 available by request