L245-0105 Screening compound: 1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide

L245-0105 Screening compound: 1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
L245-0105 Screening compound: 1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L245-0105
1-{5-oxo-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl}-N-(4-phenylbutan-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

L245-0105

Molecular Formula

C25H31N5O2S (C25 H31 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CCc1ccccc1)NC(C(CC1)CCN1C(SC1=NC2=C3CCCC2)=NN1C3=O)=O

InChI

InChI=1S/C25H31N5O2S/c1-17(11-12-18-7-3-2-4-8-18)26-22(31)19-13-15-29(16-14-19)25-28-30-23(32)20-9-5-6-10-21(20)27-24(30)33-25/h2-4,7-8,17,19H,5-6,9-16H2,1H3,(H,26,31)/t17-/m0/s1

InChI Key

CIBSNEKPPPCTPV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD15120867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.613

Distribution Coefficient, logD

3.613

Water Solubility, LogSw

-3.65

Polar Surface Area

64.663

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

L245-0105 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 L245-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L245-0105?
Check Price and Availability of L245-0105, 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 L245-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L245-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L245-0105
  • 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 L245-0105 available by request