5594-3001 Screening compound: 2-(ethylsulfanyl)-4-methyl-6-quinazolinyl methyl ether

5594-3001 Screening compound: 2-(ethylsulfanyl)-4-methyl-6-quinazolinyl methyl ether
5594-3001 Screening compound: 2-(ethylsulfanyl)-4-methyl-6-quinazolinyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 5594-3001
2-(ethylsulfanyl)-4-methyl-6-quinazolinyl methyl ether

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

5594-3001

Molecular Formula

C12H14N2OS (C12 H14 N2 OS)

Compound Name

2-(ethylsulfanyl)-4-methyl-6-quinazolinyl methyl ether

IUPAC name

2-(ethylsulfanyl)-6-methoxy-4-methylquinazoline

SMILES

CCSc(nc(C)c1c2)nc1ccc2OC

InChI

InChI=1S/C12H14N2OS/c1-4-16-12-13-8(2)10-7-9(15-3)5-6-11(10)14-12/h5-7H,4H2,1-3H3

InChI Key

ZIZFLCIOQPWUFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03007374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

234.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.415

Distribution Coefficient, logD

3.415

Water Solubility, LogSw

-3.77

Polar Surface Area

25.367

Acid Dissociation Constant (pKa)

23.59

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

5594-3001 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 5594-3001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5594-3001?
Check Price and Availability of 5594-3001, 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 5594-3001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5594-3001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5594-3001
  • 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 5594-3001 available by request