E756-0416 Screening compound: 5-methoxy-1-methyl-N-[3-(methylsulfanyl)phenyl]-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide

E756-0416 Screening compound: 5-methoxy-1-methyl-N-[3-(methylsulfanyl)phenyl]-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide
E756-0416 Screening compound: 5-methoxy-1-methyl-N-[3-(methylsulfanyl)phenyl]-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E756-0416
5-methoxy-1-methyl-N-[3-(methylsulfanyl)phenyl]-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide

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

E756-0416

Molecular Formula

C22H23N3O3S (C22 H23 N3 O3 S)

Compound Name

5-methoxy-1-methyl-N-[3-(methylsulfanyl)phenyl]-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide

IUPAC name

5-methoxy-1-methyl-N-[3-(methylsulfanyl)phenyl]-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide

SMILES

Cn(c(cc1)c2cc1OC)c(C(Nc1cccc(SC)c1)=O)c2N(CCC1)C1=O

InChI

InChI=1S/C22H23N3O3S/c1-24-18-10-9-15(28-2)13-17(18)20(25-11-5-8-19(25)26)21(24)22(27)23-14-6-4-7-16(12-14)29-3/h4,6-7,9-10,12-13H,5,8,11H2,1-3H3,(H,23,27)

InChI Key

UBOBJZMJBRXZAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14916197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.973

Distribution Coefficient, logD

3.973

Water Solubility, LogSw

-4.16

Polar Surface Area

48.400

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

E756-0416 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with E756-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E756-0416?
Check Price and Availability of E756-0416, 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 E756-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E756-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E756-0416
  • 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 E756-0416 available by request