L245-0083 Screening compound: N-[(2-methoxyphenyl)methyl]-1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}piperidine-4-carboxamide

L245-0083 Screening compound: N-[(2-methoxyphenyl)methyl]-1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}piperidine-4-carboxamide
L245-0083 Screening compound: N-[(2-methoxyphenyl)methyl]-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 L245-0083
N-[(2-methoxyphenyl)methyl]-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

L245-0083

Molecular Formula

C23H27N5O3S (C23 H27 N5 O3 S)

Compound Name

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

SMILES

COc1c(CNC(C(CC2)CCN2C(SC2=NC3=C4CCCC3)=NN2C4=O)=O)cccc1

InChI

InChI=1S/C23H27N5O3S/c1-31-19-9-5-2-6-16(19)14-24-20(29)15-10-12-27(13-11-15)23-26-28-21(30)17-7-3-4-8-18(17)25-22(28)32-23/h2,5-6,9,15H,3-4,7-8,10-14H2,1H3,(H,24,29)

InChI Key

JQIGUYHDVDVBIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15120859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.655

Distribution Coefficient, logD

2.654

Water Solubility, LogSw

-2.97

Polar Surface Area

72.852

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

L245-0083 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L245-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L245-0083?
Check Price and Availability of L245-0083, 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 L245-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L245-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L245-0083
  • 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 L245-0083 available by request