D308-0246 Screening compound: prop-2-en-1-yl 4-methyl-2-(2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}acetamido)-1,3-thiazole-5-carboxylate

D308-0246 Screening compound: prop-2-en-1-yl 4-methyl-2-(2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}acetamido)-1,3-thiazole-5-carboxylate
D308-0246 Screening compound: prop-2-en-1-yl 4-methyl-2-(2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}acetamido)-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D308-0246
prop-2-en-1-yl 4-methyl-2-(2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}acetamido)-1,3-thiazole-5-carboxylate

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

D308-0246

Molecular Formula

C20H17N5O3S2 (C20 H17 N5 O3 S2)

Compound Name

prop-2-en-1-yl 4-methyl-2-(2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}acetamido)-1,3-thiazole-5-carboxylate

IUPAC name

prop-2-en-1-yl 4-methyl-2-(2-{[124]triazolo[43-a]quinolin-1-ylsulfanyl}acetamido)-13-thiazole-5-carboxylate

SMILES

Cc1c(C(OCC=C)=O)sc(NC(CSc2nnc3n2c(cccc2)c2cc3)=O)n1

InChI

InChI=1S/C20H17N5O3S2/c1-3-10-28-18(27)17-12(2)21-19(30-17)22-16(26)11-29-20-24-23-15-9-8-13-6-4-5-7-14(13)25(15)20/h3-9H,1,10-11H2,2H3,(H,21,22,26)

InChI Key

JDXQVEKECLIRBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09058089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.580

Distribution Coefficient, logD

3.540

Water Solubility, LogSw

-3.78

Polar Surface Area

75.902

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D308-0246 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D308-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D308-0246?
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What is the minimum amount of D308-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D308-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D308-0246
  • 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 D308-0246 available by request