D294-5372 Screening compound: N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

D294-5372 Screening compound: N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
D294-5372 Screening compound: N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D294-5372
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(5-fluoro-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

D294-5372

Molecular Formula

C21H24FN5O2S (C21 H24 FN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCc1nnc(NC(C(C2)CN(CCc3c[nH]c(cc4)c3cc4F)C2=O)=O)s1

InChI

InChI=1S/C21H24FN5O2S/c1-2-3-4-18-25-26-21(30-18)24-20(29)14-9-19(28)27(12-14)8-7-13-11-23-17-6-5-15(22)10-16(13)17/h5-6,10-11,14,23H,2-4,7-9,12H2,1H3,(H,24,26,29)/t14-/m0/s1

InChI Key

VHRFQQFZRLWVAY-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD09271760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.010

Distribution Coefficient, logD

2.742

Water Solubility, LogSw

-3.25

Polar Surface Area

74.415

Acid Dissociation Constant (pKa)

7.47

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

D294-5372 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D294-5372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D294-5372?
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What is the minimum amount of D294-5372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D294-5372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D294-5372
  • 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 D294-5372 available by request