D026-0067 Screening compound: N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]butanamide

D026-0067 Screening compound: N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]butanamide
D026-0067 Screening compound: N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D026-0067
N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]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

D026-0067

Molecular Formula

C20H18BrN7OS2 (C20 H18 BrN7 OS2)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(NC(SC1)=NN=C1c(cc1)ccc1Br)=O)Sc1nnnn1-c1ccccc1

InChI

InChI=1S/C20H18BrN7OS2/c1-2-17(31-20-25-26-27-28(20)15-6-4-3-5-7-15)18(29)22-19-24-23-16(12-30-19)13-8-10-14(21)11-9-13/h3-11,17H,2,12H2,1H3,(H,22,24,29)/t17-/m0/s1

InChI Key

MBAZGSBCCVBHFX-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD06002416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.181

Distribution Coefficient, logD

5.180

Water Solubility, LogSw

-5.05

Polar Surface Area

82.935

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

D026-0067 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 D026-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D026-0067?
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What is the minimum amount of D026-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D026-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D026-0067
  • 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 D026-0067 available by request