D294-5027 Screening compound: 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

D294-5027 Screening compound: 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
D294-5027 Screening compound: 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D294-5027
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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

D294-5027

Molecular Formula

C23H22ClN3O4 (C23 H22 ClN3 O4)

Compound Name

1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(23-dihydro-14-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

SMILES

O=C(C(C1)CN(CCc2c[nH]c(cc3)c2cc3Cl)C1=O)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C23H22ClN3O4/c24-16-1-3-19-18(10-16)14(12-25-19)5-6-27-13-15(9-22(27)28)23(29)26-17-2-4-20-21(11-17)31-8-7-30-20/h1-4,10-12,15,25H,5-9,13H2,(H,26,29)/t15-/m1/s1

InChI Key

WTYXZJWRCOBSJG-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD09270510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.845

Distribution Coefficient, logD

1.845

Water Solubility, LogSw

-2.85

Polar Surface Area

66.198

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

D294-5027 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 D294-5027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D294-5027?
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What is the minimum amount of D294-5027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D294-5027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D294-5027
  • 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 D294-5027 available by request