K288-0815 Screening compound: 7-chloro-3-[3-(4-cyclohexylpiperazine-1-carbonyl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

K288-0815 Screening compound: 7-chloro-3-[3-(4-cyclohexylpiperazine-1-carbonyl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
K288-0815 Screening compound: 7-chloro-3-[3-(4-cyclohexylpiperazine-1-carbonyl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K288-0815
7-chloro-3-[3-(4-cyclohexylpiperazine-1-carbonyl)phenyl]-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

K288-0815

Molecular Formula

C25H27ClN4O2S (C25 H27 ClN4 O2 S)

Compound Name

7-chloro-3-[3-(4-cyclohexylpiperazine-1-carbonyl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

7-chloro-3-[3-(4-cyclohexylpiperazine-1-carbonyl)phenyl]-2-sulfanylidene-1234-tetrahydroquinazolin-4-one

SMILES

O=C(c1cccc(N(C(c(ccc(Cl)c2)c2N2)=O)C2=S)c1)N(CC1)CCN1C1CCCCC1

InChI

InChI=1S/C25H27ClN4O2S/c26-18-9-10-21-22(16-18)27-25(33)30(24(21)32)20-8-4-5-17(15-20)23(31)29-13-11-28(12-14-29)19-6-2-1-3-7-19/h4-5,8-10,15-16,19H,1-3,6-7,11-14H2,(H,27,33)

InChI Key

WDVFYTWHNKJNSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15091307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.962

Distribution Coefficient, logD

3.585

Water Solubility, LogSw

-4.39

Polar Surface Area

46.448

Acid Dissociation Constant (pKa)

7.26

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

K288-0815 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K288-0815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K288-0815?
Check Price and Availability of K288-0815, 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 K288-0815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K288-0815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K288-0815
  • 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 K288-0815 available by request