L245-0077 Screening compound: 2-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

L245-0077 Screening compound: 2-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
L245-0077 Screening compound: 2-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L245-0077
2-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

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

L245-0077

Molecular Formula

C27H33N5O2S (C27 H33 N5 O2 S)

Compound Name

2-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-5H,6H,7H,8H,9H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

IUPAC name

2-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-5H6H7H8H9H-[134]thiadiazolo[23-b]quinazolin-5-one

SMILES

O=C(C(CC1)CCN1C(SC1=NC2=C3CCCC2)=NN1C3=O)N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C27H33N5O2S/c33-24(30-14-10-20(11-15-30)18-19-6-2-1-3-7-19)21-12-16-31(17-13-21)27-29-32-25(34)22-8-4-5-9-23(22)28-26(32)35-27/h1-3,6-7,20-21H,4-5,8-18H2

InChI Key

OHZDBAYMSWTDAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15120855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.317

Distribution Coefficient, logD

4.317

Water Solubility, LogSw

-4.29

Polar Surface Area

57.185

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

L245-0077 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 L245-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L245-0077?
Check Price and Availability of L245-0077, 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 L245-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L245-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L245-0077
  • 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 L245-0077 available by request