6290-0036 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)acetamide

6290-0036 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)acetamide
6290-0036 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6290-0036
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)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

6290-0036

Molecular Formula

C18H14N4OS3 (C18 H14 N4 OS3)

Compound Name

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)acetamide

IUPAC name

2-(13-benzothiazol-2-ylsulfanyl)-N-(5-phenyl-6H-134-thiadiazin-2-yl)acetamide

SMILES

O=C(CSc1nc(cccc2)c2s1)NC(SC1)=NN=C1c1ccccc1

InChI

InChI=1S/C18H14N4OS3/c23-16(11-25-18-19-13-8-4-5-9-15(13)26-18)20-17-22-21-14(10-24-17)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,22,23)

InChI Key

CRHZANORMGIVAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04128715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.577

Distribution Coefficient, logD

4.576

Water Solubility, LogSw

-4.51

Polar Surface Area

51.881

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

6290-0036 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6290-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6290-0036?
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What is the minimum amount of 6290-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6290-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6290-0036
  • 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 6290-0036 available by request