D048-0293 Screening compound: N~1~-(1,3-thiazol-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetamide

D048-0293 Screening compound: N~1~-(1,3-thiazol-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetamide
D048-0293 Screening compound: N~1~-(1,3-thiazol-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D048-0293
N~1~-(1,3-thiazol-2-yl)-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

D048-0293

Molecular Formula

C13H9N5OS3 (C13 H9 N5 OS3)

Compound Name

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

IUPAC name

2-{7-thia-245-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaen-3-ylsulfanyl}-N-(13-thiazol-2-yl)acetamide

SMILES

O=C(CSc1nnc2sc(cccc3)c3n12)Nc1nccs1

InChI

InChI=1S/C13H9N5OS3/c19-10(15-11-14-5-6-20-11)7-21-12-16-17-13-18(12)8-3-1-2-4-9(8)22-13/h1-6H,7H2,(H,14,15,19)

InChI Key

INRMGEOGLOEMAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03488061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.597

Distribution Coefficient, logD

2.596

Water Solubility, LogSw

-2.99

Polar Surface Area

55.935

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

D048-0293 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D048-0293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D048-0293?
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What is the minimum amount of D048-0293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D048-0293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D048-0293
  • 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 D048-0293 available by request