K288-0704 Screening compound: 7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-(2-methoxyethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

K288-0704 Screening compound: 7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-(2-methoxyethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
K288-0704 Screening compound: 7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-(2-methoxyethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K288-0704
7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-(2-methoxyethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

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

K288-0704

Molecular Formula

C22H23ClN4O3S (C22 H23 ClN4 O3 S)

Compound Name

7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-(2-methoxyethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-(2-methoxyethyl)-2-sulfanylidene-1234-tetrahydroquinazolin-4-one

SMILES

COCCN(C(c(ccc(C(N(CC1)CCN1c1cccc(Cl)c1)=O)c1)c1N1)=O)C1=S

InChI

InChI=1S/C22H23ClN4O3S/c1-30-12-11-27-21(29)18-6-5-15(13-19(18)24-22(27)31)20(28)26-9-7-25(8-10-26)17-4-2-3-16(23)14-17/h2-6,13-14H,7-12H2,1H3,(H,24,31)

InChI Key

FVGUBOJXXQHXGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05025022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.845

Distribution Coefficient, logD

2.844

Water Solubility, LogSw

-3.68

Polar Surface Area

55.819

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

K288-0704 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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

References: we are preparing a list of scientific research reports with K288-0704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K288-0704?
Check Price and Availability of K288-0704, 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 K288-0704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K288-0704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K288-0704
  • 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 K288-0704 available by request