C593-0105 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-4-chlorothieno[3,2-c]quinoline-2-carboxamide

C593-0105 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-4-chlorothieno[3,2-c]quinoline-2-carboxamide
C593-0105 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-4-chlorothieno[3,2-c]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C593-0105
N-{3-[benzyl(methyl)amino]propyl}-4-chlorothieno[3,2-c]quinoline-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

C593-0105

Molecular Formula

C23H22ClN3OS (C23 H22 ClN3 OS)

Compound Name

N-{3-[benzyl(methyl)amino]propyl}-4-chlorothieno[3,2-c]quinoline-2-carboxamide

IUPAC name

N-{3-[benzyl(methyl)amino]propyl}-4-chlorothieno[32-c]quinoline-2-carboxamide

SMILES

CN(CCCNC(c1cc(c(Cl)nc2ccccc22)c2s1)=O)Cc1ccccc1

InChI

InChI=1S/C23H22ClN3OS/c1-27(15-16-8-3-2-4-9-16)13-7-12-25-23(28)20-14-18-21(29-20)17-10-5-6-11-19(17)26-22(18)24/h2-6,8-11,14H,7,12-13,15H2,1H3,(H,25,28)

InChI Key

QOEZDQKGQQRBCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.97

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.801

Distribution Coefficient, logD

3.360

Water Solubility, LogSw

-4.86

Polar Surface Area

38.302

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

C593-0105 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C593-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C593-0105?
Check Price and Availability of C593-0105, 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 C593-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C593-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C593-0105
  • 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 C593-0105 available by request