K288-0425 Screening compound: 3-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide

K288-0425 Screening compound: 3-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
K288-0425 Screening compound: 3-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K288-0425
3-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide

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

K288-0425

Molecular Formula

C20H21N3O5S (C20 H21 N3 O5 S)

Compound Name

3-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide

IUPAC name

3-(4-oxo-2-sulfanylidene-1234-tetrahydroquinazolin-3-yl)-N-(345-trimethoxyphenyl)propanamide

SMILES

COc1cc(NC(CCN(C(c(cccc2)c2N2)=O)C2=S)=O)cc(OC)c1OC

InChI

InChI=1S/C20H21N3O5S/c1-26-15-10-12(11-16(27-2)18(15)28-3)21-17(24)8-9-23-19(25)13-6-4-5-7-14(13)22-20(23)29/h4-7,10-11H,8-9H2,1-3H3,(H,21,24)(H,22,29)

InChI Key

VNSFDHJGNCVNCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05024953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.282

Distribution Coefficient, logD

2.281

Water Solubility, LogSw

-3.19

Polar Surface Area

73.424

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K288-0425 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K288-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K288-0425?
Check Price and Availability of K288-0425, 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 K288-0425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K288-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K288-0425
  • 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 K288-0425 available by request