K284-3576 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

K284-3576 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
K284-3576 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-3576
N-{3-[benzyl(methyl)amino]propyl}-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-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

K284-3576

Molecular Formula

C27H27ClN4O2S (C27 H27 ClN4 O2 S)

Compound Name

N-{3-[benzyl(methyl)amino]propyl}-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

N-{3-[benzyl(methyl)amino]propyl}-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1234-tetrahydroquinazoline-7-carboxamide

SMILES

CN(CCCNC(c(cc1)cc(NC(N2Cc(cc3)ccc3Cl)=S)c1C2=O)=O)Cc1ccccc1

InChI

InChI=1S/C27H27ClN4O2S/c1-31(17-19-6-3-2-4-7-19)15-5-14-29-25(33)21-10-13-23-24(16-21)30-27(35)32(26(23)34)18-20-8-11-22(28)12-9-20/h2-4,6-13,16H,5,14-15,17-18H2,1H3,(H,29,33)(H,30,35)

InChI Key

JTMRKLOTJUIIGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15087893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.06

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.562

Distribution Coefficient, logD

3.121

Water Solubility, LogSw

-4.70

Polar Surface Area

55.667

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K284-3576 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Human Ion Channels Annotated Library (353 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K284-3576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-3576?
Check Price and Availability of K284-3576, 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 K284-3576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-3576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-3576
  • 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 K284-3576 available by request