D308-0068 Screening compound: 2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)-N-(2-methylphenyl)propanamide

D308-0068 Screening compound: 2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)-N-(2-methylphenyl)propanamide
D308-0068 Screening compound: 2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)-N-(2-methylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D308-0068
2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)-N-(2-methylphenyl)propanamide

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

D308-0068

Molecular Formula

C21H20N4OS (C21 H20 N4 OS)

Compound Name

2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)-N-(2-methylphenyl)propanamide

IUPAC name

2-({5-methyl-[124]triazolo[43-a]quinolin-1-yl}sulfanyl)-N-(2-methylphenyl)propanamide

SMILES

CC(C(Nc1c(C)cccc1)=O)Sc1nnc2n1c(cccc1)c1c(C)c2

InChI

InChI=1S/C21H20N4OS/c1-13-8-4-6-10-17(13)22-20(26)15(3)27-21-24-23-19-12-14(2)16-9-5-7-11-18(16)25(19)21/h4-12,15H,1-3H3,(H,22,26)/t15-/m0/s1

InChI Key

GWHPRPUYBPIPGJ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD06488695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.490

Distribution Coefficient, logD

4.490

Water Solubility, LogSw

-4.24

Polar Surface Area

43.747

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

D308-0068 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D308-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D308-0068?
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What is the minimum amount of D308-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D308-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D308-0068
  • 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 D308-0068 available by request