5302-0173 Screening compound: 4-[4-(propan-2-yl)phenyl]-1H,2H,3H,4H,5H,6H-benzo[h]quinazoline-2-thione

5302-0173 Screening compound: 4-[4-(propan-2-yl)phenyl]-1H,2H,3H,4H,5H,6H-benzo[h]quinazoline-2-thione
5302-0173 Screening compound: 4-[4-(propan-2-yl)phenyl]-1H,2H,3H,4H,5H,6H-benzo[h]quinazoline-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5302-0173
4-[4-(propan-2-yl)phenyl]-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

5302-0173

Molecular Formula

C21H22N2S (C21 H22 N2 S)

Compound Name

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

IUPAC name

4-[4-(propan-2-yl)phenyl]-1H2H3H4H5H6H-benzo[h]quinazoline-2-thione

SMILES

CC(C)c1ccc(C(C(CCc2c3cccc2)=C3N2)NC2=S)cc1

InChI

InChI=1S/C21H22N2S/c1-13(2)14-7-9-16(10-8-14)19-18-12-11-15-5-3-4-6-17(15)20(18)23-21(24)22-19/h3-10,13,19H,11-12H2,1-2H3,(H2,22,23,24)/t19-/m0/s1

InChI Key

VWNUUQQPPABHQK-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03260622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.49

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.241

Distribution Coefficient, logD

5.241

Water Solubility, LogSw

-5.23

Polar Surface Area

22.880

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

-5.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

5302-0173 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5302-0173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5302-0173?
Check Price and Availability of 5302-0173, 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 5302-0173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5302-0173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5302-0173
  • 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 5302-0173 available by request