L940-0009 Screening compound: 3-{2-[(2-chloro-6-fluorophenyl)methyl]-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl}-N-cyclohexylpropanamide

L940-0009 Screening compound: 3-{2-[(2-chloro-6-fluorophenyl)methyl]-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl}-N-cyclohexylpropanamide
L940-0009 Screening compound: 3-{2-[(2-chloro-6-fluorophenyl)methyl]-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl}-N-cyclohexylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L940-0009
3-{2-[(2-chloro-6-fluorophenyl)methyl]-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl}-N-cyclohexylpropanamide

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

L940-0009

Molecular Formula

C25H25ClFN5O3 (C25 H25 ClFN5 O3)

Compound Name

3-{2-[(2-chloro-6-fluorophenyl)methyl]-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl}-N-cyclohexylpropanamide

IUPAC name

3-{2-[(2-chloro-6-fluorophenyl)methyl]-15-dioxo-1H2H4H5H-[124]triazolo[43-a]quinazolin-4-yl}-N-cyclohexylpropanamide

SMILES

O=C(CCN(C(N1c2c3cccc2)=NN(Cc(c(F)ccc2)c2Cl)C1=O)C3=O)NC1CCCCC1

InChI

InChI=1S/C25H25ClFN5O3/c26-19-10-6-11-20(27)18(19)15-31-25(35)32-21-12-5-4-9-17(21)23(34)30(24(32)29-31)14-13-22(33)28-16-7-2-1-3-8-16/h4-6,9-12,16H,1-3,7-8,13-15H2,(H,28,33)

InChI Key

FPJPKGXAELAAOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16635856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.121

Distribution Coefficient, logD

4.121

Water Solubility, LogSw

-4.55

Polar Surface Area

72.110

Acid Dissociation Constant (pKa)

15.14

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

L940-0009 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L940-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L940-0009?
Check Price and Availability of L940-0009, 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 L940-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L940-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L940-0009
  • 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 L940-0009 available by request