L872-0154 Screening compound: 6-benzyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one

L872-0154 Screening compound: 6-benzyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one
L872-0154 Screening compound: 6-benzyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L872-0154
6-benzyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-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

L872-0154

Molecular Formula

C22H20F3N3OS (C22 H20 F3 N3 OS)

Compound Name

6-benzyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one

IUPAC name

6-benzyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3H4H5H6H7H8H-pyrido[43-d]pyrimidin-4-one

SMILES

O=C1NC(SCc2cc(C(F)(F)F)ccc2)=NC2=C1CN(Cc1ccccc1)CC2

InChI

InChI=1S/C22H20F3N3OS/c23-22(24,25)17-8-4-7-16(11-17)14-30-21-26-19-9-10-28(13-18(19)20(29)27-21)12-15-5-2-1-3-6-15/h1-8,11H,9-10,12-14H2,(H,26,27,29)

InChI Key

KCMJNZGMVKCUSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15135862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.892

Distribution Coefficient, logD

3.491

Water Solubility, LogSw

-4.09

Polar Surface Area

37.946

Acid Dissociation Constant (pKa)

7.22

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L872-0154 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L872-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L872-0154?
Check Price and Availability of L872-0154, 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 L872-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L872-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L872-0154
  • 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 L872-0154 available by request