L244-0091 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}piperidine-3-carboxamide

L244-0091 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}piperidine-3-carboxamide
L244-0091 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L244-0091
N-[2-(1H-indol-3-yl)ethyl]-1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}piperidine-3-carboxamide

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

L244-0091

Molecular Formula

C25H28N6O2S (C25 H28 N6 O2 S)

Compound Name

N-[2-(1H-indol-3-yl)ethyl]-1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}piperidine-3-carboxamide

IUPAC name

N-[2-(1H-indol-3-yl)ethyl]-1-{5-oxo-5H6H7H8H9H-[134]thiadiazolo[23-b]quinazolin-2-yl}piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1C(SC1=NC2=C3CCCC2)=NN1C3=O)NCCc1c[nH]c2c1cccc2

InChI

InChI=1S/C25H28N6O2S/c32-22(26-12-11-16-14-27-20-9-3-1-7-18(16)20)17-6-5-13-30(15-17)25-29-31-23(33)19-8-2-4-10-21(19)28-24(31)34-25/h1,3,7,9,14,17,27H,2,4-6,8,10-13,15H2,(H,26,32)/t17-/m0/s1

InChI Key

JOUGHZJHBOBADQ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD15120793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.952

Distribution Coefficient, logD

2.951

Water Solubility, LogSw

-3.18

Polar Surface Area

74.867

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

-5.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

L244-0091 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Indole Derivatives (10091 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Structure:
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L244-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L244-0091?
Check Price and Availability of L244-0091, 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 L244-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L244-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L244-0091
  • 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 L244-0091 available by request