C593-0921 Screening compound: 2-(diethylamino)ethyl 4-{5-ethyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-amido}benzoate

C593-0921 Screening compound: 2-(diethylamino)ethyl 4-{5-ethyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-amido}benzoate
C593-0921 Screening compound: 2-(diethylamino)ethyl 4-{5-ethyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C593-0921
2-(diethylamino)ethyl 4-{5-ethyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-amido}benzoate

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

C593-0921

Molecular Formula

C27H29N3O4S (C27 H29 N3 O4 S)

Compound Name

2-(diethylamino)ethyl 4-{5-ethyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-amido}benzoate

IUPAC name

2-(diethylamino)ethyl 4-{5-ethyl-4-oxo-4H5H-thieno[32-c]quinoline-2-amido}benzoate

SMILES

CCN(CC)CCOC(c(cc1)ccc1NC(c1cc(C(N(CC)c2c-3cccc2)=O)c3s1)=O)=O

InChI

InChI=1S/C27H29N3O4S/c1-4-29(5-2)15-16-34-27(33)18-11-13-19(14-12-18)28-25(31)23-17-21-24(35-23)20-9-7-8-10-22(20)30(6-3)26(21)32/h7-14,17H,4-6,15-16H2,1-3H3,(H,28,31)

InChI Key

PHYSTVRQRSKHIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.265

Distribution Coefficient, logD

4.297

Water Solubility, LogSw

-5.03

Polar Surface Area

63.634

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C593-0921 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral HBV Library (10007 compounds)

Human Receptors Annotated Library (5376 compounds)

Lipid Metabolism Library (9174 compounds)

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C593-0921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C593-0921?
Check Price and Availability of C593-0921, 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 C593-0921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C593-0921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C593-0921
  • 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 C593-0921 available by request