D026-0046 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide

D026-0046 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide
D026-0046 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D026-0046
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide

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

D026-0046

Molecular Formula

C21H20N4OS3 (C21 H20 N4 OS3)

Compound Name

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide

IUPAC name

2-(13-benzothiazol-2-ylsulfanyl)-N-[5-(4-methylphenyl)-6H-134-thiadiazin-2-yl]butanamide

SMILES

CCC(C(NC(SC1)=NN=C1c1ccc(C)cc1)=O)Sc1nc(cccc2)c2s1

InChI

InChI=1S/C21H20N4OS3/c1-3-17(28-21-22-15-6-4-5-7-18(15)29-21)19(26)23-20-25-24-16(12-27-20)14-10-8-13(2)9-11-14/h4-11,17H,3,12H2,1-2H3,(H,23,25,26)/t17-/m0/s1

InChI Key

ZVVPPZOYWVANRM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD06001582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.252

Distribution Coefficient, logD

6.251

Water Solubility, LogSw

-5.59

Polar Surface Area

52.094

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

D026-0046 in Drug Discovery

Included in Screening Libraries

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 D026-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D026-0046?
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What is the minimum amount of D026-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D026-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D026-0046
  • 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 D026-0046 available by request