6395-0064 Screening compound: 4-[4-(dimethylamino)phenyl]-9-methoxy-1H,2H,3H,4H,5H,6H-benzo[h]quinazoline-2-thione

6395-0064 Screening compound: 4-[4-(dimethylamino)phenyl]-9-methoxy-1H,2H,3H,4H,5H,6H-benzo[h]quinazoline-2-thione
6395-0064 Screening compound: 4-[4-(dimethylamino)phenyl]-9-methoxy-1H,2H,3H,4H,5H,6H-benzo[h]quinazoline-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6395-0064
4-[4-(dimethylamino)phenyl]-9-methoxy-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

6395-0064

Molecular Formula

C21H23N3OS (C21 H23 N3 OS)

Compound Name

4-[4-(dimethylamino)phenyl]-9-methoxy-1H,2H,3H,4H,5H,6H-benzo[h]quinazoline-2-thione

IUPAC name

4-[4-(dimethylamino)phenyl]-9-methoxy-1H2H3H4H5H6H-benzo[h]quinazoline-2-thione

SMILES

CN(C)c1ccc(C(C(CCc(cc2)c3cc2OC)=C3N2)NC2=S)cc1

InChI

InChI=1S/C21H23N3OS/c1-24(2)15-8-4-14(5-9-15)19-17-11-7-13-6-10-16(25-3)12-18(13)20(17)23-21(26)22-19/h4-6,8-10,12,19H,7,11H2,1-3H3,(H2,22,23,26)/t19-/m0/s1

InChI Key

DWYYGQXBLIOSOM-IBGZPJMESA-N

MDL Number (MFCD)

MFCD01455015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.157

Distribution Coefficient, logD

4.143

Water Solubility, LogSw

-4.37

Polar Surface Area

33.229

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

6395-0064 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6395-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6395-0064?
Check Price and Availability of 6395-0064, 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 6395-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6395-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6395-0064
  • 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 6395-0064 available by request