F289-0085 Screening compound: methyl 4-{8-oxo-6-phenyl-4H,5H,6H,7H,8H,9H-[1,2,3,4]tetrazolo[5,1-b]quinazolin-9-yl}benzoate

F289-0085 Screening compound: methyl 4-{8-oxo-6-phenyl-4H,5H,6H,7H,8H,9H-[1,2,3,4]tetrazolo[5,1-b]quinazolin-9-yl}benzoate
F289-0085 Screening compound: methyl 4-{8-oxo-6-phenyl-4H,5H,6H,7H,8H,9H-[1,2,3,4]tetrazolo[5,1-b]quinazolin-9-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F289-0085
methyl 4-{8-oxo-6-phenyl-4H,5H,6H,7H,8H,9H-[1,2,3,4]tetrazolo[5,1-b]quinazolin-9-yl}benzoate

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

F289-0085

Molecular Formula

C22H19N5O3 (C22 H19 N5 O3)

Compound Name

methyl 4-{8-oxo-6-phenyl-4H,5H,6H,7H,8H,9H-[1,2,3,4]tetrazolo[5,1-b]quinazolin-9-yl}benzoate

IUPAC name

methyl 4-{8-oxo-6-phenyl-4H5H6H7H8H9H-[1234]tetrazolo[51-b]quinazolin-9-yl}benzoate

SMILES

COC(c1ccc(C2n3nnnc3NC(CC(C3)c4ccccc4)=C2C3=O)cc1)=O

InChI

InChI=1S/C22H19N5O3/c1-30-21(29)15-9-7-14(8-10-15)20-19-17(23-22-24-25-26-27(20)22)11-16(12-18(19)28)13-5-3-2-4-6-13/h2-10,16,20H,11-12H2,1H3,(H,23,24,26)

InChI Key

AWSKORXDERZJSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08537025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.713

Distribution Coefficient, logD

2.432

Water Solubility, LogSw

-4.10

Polar Surface Area

86.936

Acid Dissociation Constant (pKa)

6.14

Base Dissociation Constant (pKb)

-5.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.70

F289-0085 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 F289-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F289-0085?
Check Price and Availability of F289-0085, 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 F289-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F289-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F289-0085
  • 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 F289-0085 available by request