E786-0546 Screening compound: 3-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(3,5-dimethylphenyl)propanamide

E786-0546 Screening compound: 3-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(3,5-dimethylphenyl)propanamide
E786-0546 Screening compound: 3-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(3,5-dimethylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-0546
3-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(3,5-dimethylphenyl)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

E786-0546

Molecular Formula

C24H28N2O4S (C24 H28 N2 O4 S)

Compound Name

3-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(3,5-dimethylphenyl)propanamide

IUPAC name

3-[(1-cyclopropanecarbonyl-2-methyl-23-dihydro-1H-indol-5-yl)sulfonyl]-N-(35-dimethylphenyl)propanamide

SMILES

CC(C1)N(C(C2CC2)=O)c(cc2)c1cc2S(CCC(Nc1cc(C)cc(C)c1)=O)(=O)=O

InChI

InChI=1S/C24H28N2O4S/c1-15-10-16(2)12-20(11-15)25-23(27)8-9-31(29,30)21-6-7-22-19(14-21)13-17(3)26(22)24(28)18-4-5-18/h6-7,10-12,14,17-18H,4-5,8-9,13H2,1-3H3,(H,25,27)/t17-/m1/s1

InChI Key

VBNDNDYEJSYQDC-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14918644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.432

Distribution Coefficient, logD

3.432

Water Solubility, LogSw

-3.96

Polar Surface Area

67.293

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

E786-0546 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E786-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-0546?
Check Price and Availability of E786-0546, 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 E786-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-0546
  • 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 E786-0546 available by request