D294-4711 Screening compound: N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

D294-4711 Screening compound: N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
D294-4711 Screening compound: N-[5-(ethoxymethyl)-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 D294-4711
N-[5-(ethoxymethyl)-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

D294-4711

Molecular Formula

C21H25N5O4S (C21 H25 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOCc1nnc(NC(C(C2)CN(CCc3c[nH]c(cc4)c3cc4OC)C2=O)=O)s1

InChI

InChI=1S/C21H25N5O4S/c1-3-30-12-18-24-25-21(31-18)23-20(28)14-8-19(27)26(11-14)7-6-13-10-22-17-5-4-15(29-2)9-16(13)17/h4-5,9-10,14,22H,3,6-8,11-12H2,1-2H3,(H,23,25,28)/t14-/m0/s1

InChI Key

ALDHYAJKZWULKI-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD09271631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.528

Distribution Coefficient, logD

1.250

Water Solubility, LogSw

-2.43

Polar Surface Area

90.017

Acid Dissociation Constant (pKa)

7.45

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

D294-4711 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 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
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D294-4711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D294-4711?
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What is the minimum amount of D294-4711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D294-4711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D294-4711
  • 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 D294-4711 available by request