D026-0057 Screening compound: N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide

D026-0057 Screening compound: N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide
D026-0057 Screening compound: N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D026-0057
N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]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

D026-0057

Molecular Formula

C19H17N7OS2 (C19 H17 N7 OS2)

Compound Name

N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide

IUPAC name

N-[5-(4-methylphenyl)-6H-134-thiadiazin-2-yl]-2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]acetamide

SMILES

Cc(cc1)ccc1C1=NN=C(NC(CSc2nnnn2-c2ccccc2)=O)SC1

InChI

InChI=1S/C19H17N7OS2/c1-13-7-9-14(10-8-13)16-11-28-18(22-21-16)20-17(27)12-29-19-23-24-25-26(19)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,20,22,27)

InChI Key

NIQOZLVSJGVAKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04128716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.680

Distribution Coefficient, logD

3.679

Water Solubility, LogSw

-3.88

Polar Surface Area

82.721

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

D026-0057 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 D026-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D026-0057?
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What is the minimum amount of D026-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D026-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D026-0057
  • 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 D026-0057 available by request