4112-0270 Screening compound: N~1~-(2-methylphenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetamide

4112-0270 Screening compound: N~1~-(2-methylphenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetamide
4112-0270 Screening compound: N~1~-(2-methylphenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4112-0270
N~1~-(2-methylphenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetamide

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

4112-0270

Molecular Formula

C17H14N4OS2 (C17 H14 N4 OS2)

Compound Name

N~1~-(2-methylphenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetamide

IUPAC name

N-(2-methylphenyl)-2-{7-thia-245-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaen-3-ylsulfanyl}acetamide

SMILES

Cc(cccc1)c1NC(CSc1nnc2sc(cccc3)c3n12)=O

InChI

InChI=1S/C17H14N4OS2/c1-11-6-2-3-7-12(11)18-15(22)10-23-16-19-20-17-21(16)13-8-4-5-9-14(13)24-17/h2-9H,10H2,1H3,(H,18,22)

InChI Key

MDIURTPUISDMBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02328177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.46

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

3.226

Distribution Coefficient, logD

3.226

Water Solubility, LogSw

-3.29

Polar Surface Area

44.758

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

4112-0270 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4112-0270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4112-0270?
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What is the minimum amount of 4112-0270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4112-0270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4112-0270
  • 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 4112-0270 available by request