D294-5053 Screening compound: 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

D294-5053 Screening compound: 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
D294-5053 Screening compound: 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D294-5053
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-[5-(2-ethoxyethyl)-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

D294-5053

Molecular Formula

C21H24ClN5O3S (C21 H24 ClN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOCCc1nnc(NC(C(C2)CN(CCc3c[nH]c(cc4)c3cc4Cl)C2=O)=O)s1

InChI

InChI=1S/C21H24ClN5O3S/c1-2-30-8-6-18-25-26-21(31-18)24-20(29)14-9-19(28)27(12-14)7-5-13-11-23-17-4-3-15(22)10-16(13)17/h3-4,10-11,14,23H,2,5-9,12H2,1H3,(H,24,26,29)/t14-/m1/s1

InChI Key

IZVZALZOYUGSMC-CQSZACIVSA-N

MDL Number (MFCD)

MFCD09271679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.97

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

2.546

Distribution Coefficient, logD

2.278

Water Solubility, LogSw

-3.51

Polar Surface Area

82.392

Acid Dissociation Constant (pKa)

7.47

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

D294-5053 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D294-5053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D294-5053?
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What is the minimum amount of D294-5053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D294-5053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D294-5053
  • 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 D294-5053 available by request