F207-0005 Screening compound: methyl 4-oxo-3-phenyl-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxylate

F207-0005 Screening compound: methyl 4-oxo-3-phenyl-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxylate
F207-0005 Screening compound: methyl 4-oxo-3-phenyl-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F207-0005
methyl 4-oxo-3-phenyl-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxylate

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

F207-0005

Molecular Formula

C16H12N2O3S (C16 H12 N2 O3 S)

Compound Name

methyl 4-oxo-3-phenyl-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxylate

IUPAC name

n/a

SMILES

COC(c(cc1)cc(NC(N2c3ccccc3)=S)c1C2=O)=O

InChI

InChI=1S/C16H12N2O3S/c1-21-15(20)10-7-8-12-13(9-10)17-16(22)18(14(12)19)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,22)

InChI Key

QSMGBQNWQGFRSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.837

Distribution Coefficient, logD

2.815

Water Solubility, LogSw

-3.67

Polar Surface Area

47.880

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

-9.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.00

F207-0005 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F207-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F207-0005?
Check Price and Availability of F207-0005, 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 F207-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F207-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F207-0005
  • 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 F207-0005 available by request