L245-0180 Screening compound: N-[(4-butoxyphenyl)methyl]-1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}piperidine-4-carboxamide

L245-0180 Screening compound: N-[(4-butoxyphenyl)methyl]-1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}piperidine-4-carboxamide
L245-0180 Screening compound: N-[(4-butoxyphenyl)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 L245-0180
N-[(4-butoxyphenyl)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

L245-0180

Molecular Formula

C26H33N5O3S (C26 H33 N5 O3 S)

Compound Name

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

SMILES

CCCCOc1ccc(CNC(C(CC2)CCN2C(SC2=NC3=C4CCCC3)=NN2C4=O)=O)cc1

InChI

InChI=1S/C26H33N5O3S/c1-2-3-16-34-20-10-8-18(9-11-20)17-27-23(32)19-12-14-30(15-13-19)26-29-31-24(33)21-6-4-5-7-22(21)28-25(31)35-26/h8-11,19H,2-7,12-17H2,1H3,(H,27,32)

InChI Key

MULPJMHDRXOECV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15120901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.866

Distribution Coefficient, logD

3.865

Water Solubility, LogSw

-3.67

Polar Surface Area

72.639

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

L245-0180 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 L245-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L245-0180?
Check Price and Availability of L245-0180, 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 L245-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L245-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L245-0180
  • 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 L245-0180 available by request