K287-0318 Screening compound: 7-chloro-3-(3-methylbutyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

K287-0318 Screening compound: 7-chloro-3-(3-methylbutyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
K287-0318 Screening compound: 7-chloro-3-(3-methylbutyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K287-0318
7-chloro-3-(3-methylbutyl)-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

K287-0318

Molecular Formula

C13H15ClN2OS (C13 H15 ClN2 OS)

Compound Name

7-chloro-3-(3-methylbutyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

7-chloro-3-(3-methylbutyl)-2-sulfanylidene-1234-tetrahydroquinazolin-4-one

SMILES

CC(C)CCN(C(c(ccc(Cl)c1)c1N1)=O)C1=S

InChI

InChI=1S/C13H15ClN2OS/c1-8(2)5-6-16-12(17)10-4-3-9(14)7-11(10)15-13(16)18/h3-4,7-8H,5-6H2,1-2H3,(H,15,18)

InChI Key

HBCSKIOPLBMBKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05024790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.79

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.931

Distribution Coefficient, logD

3.853

Water Solubility, LogSw

-4.31

Polar Surface Area

27.568

Acid Dissociation Constant (pKa)

8.11

Base Dissociation Constant (pKb)

-8.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

K287-0318 in Drug Discovery

Included in Screening Libraries

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

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with K287-0318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K287-0318?
Check Price and Availability of K287-0318, 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 K287-0318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K287-0318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K287-0318
  • 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 K287-0318 available by request