L940-0139 Screening compound: 3-{2-[(cyclohexylcarbamoyl)methyl]-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl}-N-cyclopentylpropanamide

L940-0139 Screening compound: 3-{2-[(cyclohexylcarbamoyl)methyl]-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl}-N-cyclopentylpropanamide
L940-0139 Screening compound: 3-{2-[(cyclohexylcarbamoyl)methyl]-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl}-N-cyclopentylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L940-0139
3-{2-[(cyclohexylcarbamoyl)methyl]-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl}-N-cyclopentylpropanamide

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

L940-0139

Molecular Formula

C25H32N6O4 (C25 H32 N6 O4)

Compound Name

3-{2-[(cyclohexylcarbamoyl)methyl]-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl}-N-cyclopentylpropanamide

IUPAC name

3-{2-[(cyclohexylcarbamoyl)methyl]-15-dioxo-1H2H4H5H-[124]triazolo[43-a]quinazolin-4-yl}-N-cyclopentylpropanamide

SMILES

O=C(CCN(C(N1c2c3cccc2)=NN(CC(NC2CCCCC2)=O)C1=O)C3=O)NC1CCCC1

InChI

InChI=1S/C25H32N6O4/c32-21(26-17-10-4-5-11-17)14-15-29-23(34)19-12-6-7-13-20(19)31-24(29)28-30(25(31)35)16-22(33)27-18-8-2-1-3-9-18/h6-7,12-13,17-18H,1-5,8-11,14-16H2,(H,26,32)(H,27,33)

InChI Key

PKAAFSKVNZHSSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27488728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.438

Distribution Coefficient, logD

2.438

Water Solubility, LogSw

-2.97

Polar Surface Area

96.673

Acid Dissociation Constant (pKa)

15.80

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.00

L940-0139 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 L940-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L940-0139?
Check Price and Availability of L940-0139, 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 L940-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L940-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L940-0139
  • 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 L940-0139 available by request