L245-0136 Screening compound: N-[2-(5-methyl-1H-indol-3-yl)ethyl]-1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}piperidine-4-carboxamide

L245-0136 Screening compound: N-[2-(5-methyl-1H-indol-3-yl)ethyl]-1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}piperidine-4-carboxamide
L245-0136 Screening compound: N-[2-(5-methyl-1H-indol-3-yl)ethyl]-1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L245-0136
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}piperidine-4-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

L245-0136

Molecular Formula

C26H30N6O2S (C26 H30 N6 O2 S)

Compound Name

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

IUPAC name

N-[2-(5-methyl-1H-indol-3-yl)ethyl]-1-{5-oxo-5H6H7H8H9H-[134]thiadiazolo[23-b]quinazolin-2-yl}piperidine-4-carboxamide

SMILES

Cc(cc1)cc2c1[nH]cc2CCNC(C(CC1)CCN1C(SC1=NC2=C3CCCC2)=NN1C3=O)=O

InChI

InChI=1S/C26H30N6O2S/c1-16-6-7-21-20(14-16)18(15-28-21)8-11-27-23(33)17-9-12-31(13-10-17)26-30-32-24(34)19-4-2-3-5-22(19)29-25(32)35-26/h6-7,14-15,17,28H,2-5,8-13H2,1H3,(H,27,33)

InChI Key

NONZOBXFULDNCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15120876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.63

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

3.407

Distribution Coefficient, logD

3.406

Water Solubility, LogSw

-3.56

Polar Surface Area

74.934

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

L245-0136 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Indole Derivatives (10091 compounds)

Macl-GPIb alpha Interaction Library (22969 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
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Proteases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L245-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L245-0136?
Check Price and Availability of L245-0136, 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 L245-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L245-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L245-0136
  • 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 L245-0136 available by request