D294-5280 Screening compound: 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

D294-5280 Screening compound: 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
D294-5280 Screening compound: 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D294-5280
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-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

D294-5280

Molecular Formula

C20H26FN3O2 (C20 H26 FN3 O2)

Compound Name

1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

SMILES

CC(C)CCNC(C(C1)CN(CCc2c[nH]c(cc3)c2cc3F)C1=O)=O

InChI

InChI=1S/C20H26FN3O2/c1-13(2)5-7-22-20(26)15-9-19(25)24(12-15)8-6-14-11-23-18-4-3-16(21)10-17(14)18/h3-4,10-11,13,15,23H,5-9,12H2,1-2H3,(H,22,26)/t15-/m1/s1

InChI Key

XMHRTPZUOOCWOU-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD09271741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.216

Distribution Coefficient, logD

2.216

Water Solubility, LogSw

-2.81

Polar Surface Area

51.810

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D294-5280 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D294-5280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D294-5280?
Check Price and Availability of D294-5280, 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 D294-5280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D294-5280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D294-5280
  • 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 D294-5280 available by request