K297-0019 Screening compound: 4-{[2-(2-methylpiperidino)ethyl]amino}-2(1H)-quinazolinethione

K297-0019 Screening compound: 4-{[2-(2-methylpiperidino)ethyl]amino}-2(1H)-quinazolinethione
K297-0019 Screening compound: 4-{[2-(2-methylpiperidino)ethyl]amino}-2(1H)-quinazolinethione alternative view

Chemical Structure Depiction of ChemDiv screening compound K297-0019
4-{[2-(2-methylpiperidino)ethyl]amino}-2(1H)-quinazolinethione

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

K297-0019

Molecular Formula

C16H22N4S (C16 H22 N4 S)

Compound Name

4-{[2-(2-methylpiperidino)ethyl]amino}-2(1H)-quinazolinethione

IUPAC name

4-{[2-(2-methylpiperidin-1-yl)ethyl]amino}-12-dihydroquinazoline-2-thione

SMILES

CC1N(CCNC(c(cccc2)c2N2)=NC2=S)CCCC1

InChI

InChI=1S/C16H22N4S/c1-12-6-4-5-10-20(12)11-9-17-15-13-7-2-3-8-14(13)18-16(21)19-15/h2-3,7-8,12H,4-6,9-11H2,1H3,(H2,17,18,19,21)/t12-/m0/s1

InChI Key

UZXYPFJZCQUKEU-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03018906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.255

Distribution Coefficient, logD

0.518

Water Solubility, LogSw

-2.74

Polar Surface Area

34.337

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

K297-0019 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with K297-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K297-0019?
Check Price and Availability of K297-0019, 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 K297-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K297-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K297-0019
  • 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 K297-0019 available by request