C593-1159 Screening compound: N-[3-(4-ethylpiperazin-1-yl)propyl]-8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide

C593-1159 Screening compound: N-[3-(4-ethylpiperazin-1-yl)propyl]-8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide
C593-1159 Screening compound: N-[3-(4-ethylpiperazin-1-yl)propyl]-8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C593-1159
N-[3-(4-ethylpiperazin-1-yl)propyl]-8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-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

C593-1159

Molecular Formula

C22H27N3O3S (C22 H27 N3 O3 S)

Compound Name

N-[3-(4-ethylpiperazin-1-yl)propyl]-8-methyl-4-oxo-4H-thieno[3,2-c]chromene-2-carboxamide

IUPAC name

N-[3-(4-ethylpiperazin-1-yl)propyl]-8-methyl-4-oxo-4H-thieno[32-c]chromene-2-carboxamide

SMILES

CCN1CCN(CCCNC(c2cc(C(Oc3c-4cc(C)cc3)=O)c4s2)=O)CC1

InChI

InChI=1S/C22H27N3O3S/c1-3-24-9-11-25(12-10-24)8-4-7-23-21(26)19-14-17-20(29-19)16-13-15(2)5-6-18(16)28-22(17)27/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,23,26)

InChI Key

WCHPRLDDQKMSRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.783

Distribution Coefficient, logD

1.835

Water Solubility, LogSw

-3.28

Polar Surface Area

53.681

Acid Dissociation Constant (pKa)

15.13

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

C593-1159 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C593-1159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C593-1159?
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What is the minimum amount of C593-1159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C593-1159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C593-1159
  • 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 C593-1159 available by request