E756-0091 Screening compound: 5-fluoro-1-methyl-N-[(oxolan-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide

E756-0091 Screening compound: 5-fluoro-1-methyl-N-[(oxolan-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide
E756-0091 Screening compound: 5-fluoro-1-methyl-N-[(oxolan-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E756-0091
5-fluoro-1-methyl-N-[(oxolan-2-yl)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

E756-0091

Molecular Formula

C19H22FN3O3 (C19 H22 FN3 O3)

Compound Name

5-fluoro-1-methyl-N-[(oxolan-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide

IUPAC name

5-fluoro-1-methyl-N-[(oxolan-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)-1H-indole-2-carboxamide

SMILES

Cn(c(cc1)c2cc1F)c(C(NCC1OCCC1)=O)c2N(CCC1)C1=O

InChI

InChI=1S/C19H22FN3O3/c1-22-15-7-6-12(20)10-14(15)17(23-8-2-5-16(23)24)18(22)19(25)21-11-13-4-3-9-26-13/h6-7,10,13H,2-5,8-9,11H2,1H3,(H,21,25)/t13-/m1/s1

InChI Key

YTMPZVWMLANXRB-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD14916070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.695

Distribution Coefficient, logD

1.695

Water Solubility, LogSw

-2.27

Polar Surface Area

50.832

Acid Dissociation Constant (pKa)

13.54

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

E756-0091 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

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

GPCR Targeted Library (31838 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E756-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E756-0091?
Check Price and Availability of E756-0091, 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 E756-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E756-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E756-0091
  • 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 E756-0091 available by request