D294-5062 Screening compound: ethyl 2-{1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-amido}-4-methyl-1,3-thiazole-5-carboxylate

D294-5062 Screening compound: ethyl 2-{1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-amido}-4-methyl-1,3-thiazole-5-carboxylate
D294-5062 Screening compound: ethyl 2-{1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-amido}-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D294-5062
ethyl 2-{1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-amido}-4-methyl-1,3-thiazole-5-carboxylate

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

D294-5062

Molecular Formula

C22H23ClN4O4S (C22 H23 ClN4 O4 S)

Compound Name

ethyl 2-{1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-amido}-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 2-{1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-amido}-4-methyl-13-thiazole-5-carboxylate

SMILES

CCOC(c1c(C)nc(NC(C(C2)CN(CCc3c[nH]c(cc4)c3cc4Cl)C2=O)=O)s1)=O

InChI

InChI=1S/C22H23ClN4O4S/c1-3-31-21(30)19-12(2)25-22(32-19)26-20(29)14-8-18(28)27(11-14)7-6-13-10-24-17-5-4-15(23)9-16(13)17/h4-5,9-10,14,24H,3,6-8,11H2,1-2H3,(H,25,26,29)/t14-/m1/s1

InChI Key

PZGSXOISZPQNJC-CQSZACIVSA-N

MDL Number (MFCD)

MFCD09271680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.170

Distribution Coefficient, logD

2.926

Water Solubility, LogSw

-3.61

Polar Surface Area

81.751

Acid Dissociation Constant (pKa)

7.52

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

D294-5062 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D294-5062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D294-5062?
Check Price and Availability of D294-5062, 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 D294-5062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D294-5062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D294-5062
  • 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 D294-5062 available by request