5302-0177 Screening compound: 4-(4-ethoxyphenyl)-1H,2H,3H,4H,5H,6H-benzo[h]quinazoline-2-thione

5302-0177 Screening compound: 4-(4-ethoxyphenyl)-1H,2H,3H,4H,5H,6H-benzo[h]quinazoline-2-thione
5302-0177 Screening compound: 4-(4-ethoxyphenyl)-1H,2H,3H,4H,5H,6H-benzo[h]quinazoline-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5302-0177
4-(4-ethoxyphenyl)-1H,2H,3H,4H,5H,6H-benzo[h]quinazoline-2-thione

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

5302-0177

Molecular Formula

C20H20N2OS (C20 H20 N2 OS)

Compound Name

4-(4-ethoxyphenyl)-1H,2H,3H,4H,5H,6H-benzo[h]quinazoline-2-thione

IUPAC name

4-(4-ethoxyphenyl)-1H2H3H4H5H6H-benzo[h]quinazoline-2-thione

SMILES

CCOc1ccc(C(C(CCc2c3cccc2)=C3N2)NC2=S)cc1

InChI

InChI=1S/C20H20N2OS/c1-2-23-15-10-7-14(8-11-15)18-17-12-9-13-5-3-4-6-16(13)19(17)22-20(24)21-18/h3-8,10-11,18H,2,9,12H2,1H3,(H2,21,22,24)/t18-/m0/s1

InChI Key

PPFNPANBWYSGCR-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03252772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.272

Distribution Coefficient, logD

4.271

Water Solubility, LogSw

-4.22

Polar Surface Area

30.004

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

-5.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 5302-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5302-0177?
Check Price and Availability of 5302-0177, 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 5302-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5302-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5302-0177
  • 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 5302-0177 available by request