D294-4389 Screening compound: N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

D294-4389 Screening compound: N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
D294-4389 Screening compound: N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D294-4389
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-1-[2-(5-methyl-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

D294-4389

Molecular Formula

C21H25N5O3S (C21 H25 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOCc1nnc(NC(C(C2)CN(CCc3c[nH]c4c3cc(C)cc4)C2=O)=O)s1

InChI

InChI=1S/C21H25N5O3S/c1-3-29-12-18-24-25-21(30-18)23-20(28)15-9-19(27)26(11-15)7-6-14-10-22-17-5-4-13(2)8-16(14)17/h4-5,8,10,15,22H,3,6-7,9,11-12H2,1-2H3,(H,23,25,28)/t15-/m0/s1

InChI Key

IFKJVSQVHPOUGU-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD09271614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.957

Distribution Coefficient, logD

1.679

Water Solubility, LogSw

-2.65

Polar Surface Area

82.474

Acid Dissociation Constant (pKa)

7.45

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

D294-4389 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 D294-4389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D294-4389?
Check Price and Availability of D294-4389, 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 D294-4389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D294-4389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D294-4389
  • 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 D294-4389 available by request