D308-0146 Screening compound: benzyl 2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetate

D308-0146 Screening compound: benzyl 2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetate
D308-0146 Screening compound: benzyl 2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D308-0146
benzyl 2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetate

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

D308-0146

Molecular Formula

C20H17N3O2S (C20 H17 N3 O2 S)

Compound Name

benzyl 2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetate

IUPAC name

benzyl 2-({5-methyl-[124]triazolo[43-a]quinolin-1-yl}sulfanyl)acetate

SMILES

Cc(c(cccc1)c1n12)cc2nnc1SCC(OCc1ccccc1)=O

InChI

InChI=1S/C20H17N3O2S/c1-14-11-18-21-22-20(23(18)17-10-6-5-9-16(14)17)26-13-19(24)25-12-15-7-3-2-4-8-15/h2-11H,12-13H2,1H3

InChI Key

KBBNVTNCINQWFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06488676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.445

Distribution Coefficient, logD

4.445

Water Solubility, LogSw

-4.57

Polar Surface Area

41.616

Acid Dissociation Constant (pKa)

18.61

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D308-0146 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D308-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D308-0146?
Check Price and Availability of D308-0146, 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 D308-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D308-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D308-0146
  • 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 D308-0146 available by request