L245-0044 Screening compound: 2-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

L245-0044 Screening compound: 2-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
L245-0044 Screening compound: 2-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L245-0044
2-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

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

L245-0044

Molecular Formula

C25H30N6O2S (C25 H30 N6 O2 S)

Compound Name

2-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

IUPAC name

2-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]-5H6H7H8H9H-[134]thiadiazolo[23-b]quinazolin-5-one

SMILES

O=C(C(CC1)CCN1C(SC1=NC2=C3CCCC2)=NN1C3=O)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C25H30N6O2S/c32-22(29-16-14-28(15-17-29)19-6-2-1-3-7-19)18-10-12-30(13-11-18)25-27-31-23(33)20-8-4-5-9-21(20)26-24(31)34-25/h1-3,6-7,18H,4-5,8-17H2

InChI Key

BLTHFBDERMELPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15120842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.982

Distribution Coefficient, logD

2.981

Water Solubility, LogSw

-3.19

Polar Surface Area

60.717

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

L245-0044 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L245-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L245-0044?
Check Price and Availability of L245-0044, 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 L245-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L245-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L245-0044
  • 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 L245-0044 available by request