D294-4728 Screening compound: N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

D294-4728 Screening compound: N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
D294-4728 Screening compound: N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D294-4728
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-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

D294-4728

Molecular Formula

C22H27N5O3S (C22 H27 N5 O3 S)

Compound Name

N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

IUPAC name

N-(5-butyl-134-thiadiazol-2-yl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

SMILES

CCCCc1nnc(NC(C(C2)CN(CCc3c[nH]c(cc4)c3cc4OC)C2=O)=O)s1

InChI

InChI=1S/C22H27N5O3S/c1-3-4-5-19-25-26-22(31-19)24-21(29)15-10-20(28)27(13-15)9-8-14-12-23-18-7-6-16(30-2)11-17(14)18/h6-7,11-12,15,23H,3-5,8-10,13H2,1-2H3,(H,24,26,29)/t15-/m0/s1

InChI Key

XMORABWQLUQVJT-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD09443946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.970

Distribution Coefficient, logD

2.701

Water Solubility, LogSw

-3.36

Polar Surface Area

81.959

Acid Dissociation Constant (pKa)

7.47

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

D294-4728 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 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 D294-4728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D294-4728?
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What is the minimum amount of D294-4728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D294-4728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D294-4728
  • 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 D294-4728 available by request