D294-5034 Screening compound: 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

D294-5034 Screening compound: 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
D294-5034 Screening compound: 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D294-5034
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-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

D294-5034

Molecular Formula

C19H20ClN5O2S (C19 H20 ClN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCc1nnc(NC(C(C2)CN(CCc3c[nH]c(cc4)c3cc4Cl)C2=O)=O)s1

InChI

InChI=1S/C19H20ClN5O2S/c1-2-16-23-24-19(28-16)22-18(27)12-7-17(26)25(10-12)6-5-11-9-21-15-4-3-13(20)8-14(11)15/h3-4,8-9,12,21H,2,5-7,10H2,1H3,(H,22,24,27)/t12-/m1/s1

InChI Key

XLOYSFQVJNHPIP-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD09270511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.642

Distribution Coefficient, logD

2.374

Water Solubility, LogSw

-3.48

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

36.80

D294-5034 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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 D294-5034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D294-5034?
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What is the minimum amount of D294-5034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D294-5034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D294-5034
  • 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 D294-5034 available by request