L245-0130 Screening compound: N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}piperidine-4-carboxamide

L245-0130 Screening compound: N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}piperidine-4-carboxamide
L245-0130 Screening compound: N-[2-(3,5-dimethyl-1,2-oxazol-4-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 L245-0130
N-[2-(3,5-dimethyl-1,2-oxazol-4-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

L245-0130

Molecular Formula

C22H28N6O3S (C22 H28 N6 O3 S)

Compound Name

N-[2-(3,5-dimethyl-1,2-oxazol-4-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-(35-dimethyl-12-oxazol-4-yl)ethyl]-1-{5-oxo-5H6H7H8H9H-[134]thiadiazolo[23-b]quinazolin-2-yl}piperidine-4-carboxamide

SMILES

Cc1noc(C)c1CCNC(C(CC1)CCN1C(SC1=NC2=C3CCCC2)=NN1C3=O)=O

InChI

InChI=1S/C22H28N6O3S/c1-13-16(14(2)31-26-13)7-10-23-19(29)15-8-11-27(12-9-15)22-25-28-20(30)17-5-3-4-6-18(17)24-21(28)32-22/h15H,3-12H2,1-2H3,(H,23,29)

InChI Key

METCABRXPCBCED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15120874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.839

Distribution Coefficient, logD

1.838

Water Solubility, LogSw

-2.30

Polar Surface Area

87.101

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

L245-0130 in Drug Discovery

Included in Screening Libraries

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

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 L245-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L245-0130?
Check Price and Availability of L245-0130, 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 L245-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L245-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L245-0130
  • 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 L245-0130 available by request