E756-0313 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide

E756-0313 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide
E756-0313 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E756-0313
N-{[4-(dimethylamino)phenyl]methyl}-5-fluoro-1-methyl-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

E756-0313

Molecular Formula

C23H25FN4O2 (C23 H25 FN4 O2)

Compound Name

N-{[4-(dimethylamino)phenyl]methyl}-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide

IUPAC name

N-{[4-(dimethylamino)phenyl]methyl}-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide

SMILES

CN(C)c1ccc(CNC(c(n(C)c(cc2)c3cc2F)c3N(CCC2)C2=O)=O)cc1

InChI

InChI=1S/C23H25FN4O2/c1-26(2)17-9-6-15(7-10-17)14-25-23(30)22-21(28-12-4-5-20(28)29)18-13-16(24)8-11-19(18)27(22)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,25,30)

InChI Key

VINUNRJNSIRFPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14916139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.234

Distribution Coefficient, logD

3.219

Water Solubility, LogSw

-3.50

Polar Surface Area

44.983

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

E756-0313 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E756-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E756-0313?
Check Price and Availability of E756-0313, 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 E756-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E756-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E756-0313
  • 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 E756-0313 available by request