K284-0554 Screening compound: 2-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]-3,4-dihydroquinazolin-4-one

K284-0554 Screening compound: 2-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]-3,4-dihydroquinazolin-4-one
K284-0554 Screening compound: 2-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-0554
2-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]-3,4-dihydroquinazolin-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

K284-0554

Molecular Formula

C25H23ClN2OS2 (C25 H23 ClN2 OS2)

Compound Name

2-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]-3,4-dihydroquinazolin-4-one

IUPAC name

2-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]-34-dihydroquinazolin-4-one

SMILES

O=C1N(CCC2=CCCCC2)C(SCc2csc(cc3)c2cc3Cl)=Nc2c1cccc2

InChI

InChI=1S/C25H23ClN2OS2/c26-19-10-11-23-21(14-19)18(15-30-23)16-31-25-27-22-9-5-4-8-20(22)24(29)28(25)13-12-17-6-2-1-3-7-17/h4-6,8-11,14-15H,1-3,7,12-13,16H2

InChI Key

LNSJMRCVWFBGBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02651002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.06

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.843

Distribution Coefficient, logD

6.843

Water Solubility, LogSw

-6.38

Polar Surface Area

26.688

Acid Dissociation Constant (pKa)

27.84

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

K284-0554 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K284-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-0554?
Check Price and Availability of K284-0554, 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 K284-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-0554
  • 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 K284-0554 available by request