5594-2900 Screening compound: 6,7-dimethoxy-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone

5594-2900 Screening compound: 6,7-dimethoxy-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone
5594-2900 Screening compound: 6,7-dimethoxy-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 5594-2900
6,7-dimethoxy-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone

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

5594-2900

Molecular Formula

C16H14N2O3S (C16 H14 N2 O3 S)

Compound Name

6,7-dimethoxy-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone

IUPAC name

n/a

SMILES

COc(c(OC)c1)cc(C(N2c3ccccc3)=O)c1NC2=S

InChI

InChI=1S/C16H14N2O3S/c1-20-13-8-11-12(9-14(13)21-2)17-16(22)18(15(11)19)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,22)

InChI Key

DKEYZNUDLQFDAL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.327

Distribution Coefficient, logD

2.223

Water Solubility, LogSw

-3.30

Polar Surface Area

41.967

Acid Dissociation Constant (pKa)

7.97

Base Dissociation Constant (pKb)

-8.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with 5594-2900 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5594-2900?
Check Price and Availability of 5594-2900, 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 5594-2900 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5594-2900
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5594-2900
  • 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 5594-2900 available by request