F810-0242 Screening compound: methyl 2-(2-{9-chloro-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]quinazolin-2-yl}acetamido)benzoate

F810-0242 Screening compound: methyl 2-(2-{9-chloro-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]quinazolin-2-yl}acetamido)benzoate
F810-0242 Screening compound: methyl 2-(2-{9-chloro-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]quinazolin-2-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F810-0242
methyl 2-(2-{9-chloro-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]quinazolin-2-yl}acetamido)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

F810-0242

Molecular Formula

C19H14ClN5O4 (C19 H14 ClN5 O4)

Compound Name

methyl 2-(2-{9-chloro-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]quinazolin-2-yl}acetamido)benzoate

IUPAC name

methyl 2-(2-{9-chloro-3-oxo-2H3H-[124]triazolo[43-c]quinazolin-2-yl}acetamido)benzoate

SMILES

COC(c(cccc1)c1NC(CN1N=C(c(cc(cc2)Cl)c2N=C2)N2C1=O)=O)=O

InChI

InChI=1S/C19H14ClN5O4/c1-29-18(27)12-4-2-3-5-15(12)22-16(26)9-25-19(28)24-10-21-14-7-6-11(20)8-13(14)17(24)23-25/h2-8,10H,9H2,1H3,(H,22,26)

InChI Key

TWNRAGAVUQUTHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27193002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.8

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.489

Distribution Coefficient, logD

2.485

Water Solubility, LogSw

-3.48

Polar Surface Area

85.313

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

F810-0242 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Kinases
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F810-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F810-0242?
Check Price and Availability of F810-0242, 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 F810-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F810-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F810-0242
  • 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 F810-0242 available by request