D026-0053 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide

D026-0053 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide
D026-0053 Screening compound: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D026-0053
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(4-bromophenyl)-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

D026-0053

Molecular Formula

C20H17BrN4OS3 (C20 H17 BrN4 OS3)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(NC(SC1)=NN=C1c(cc1)ccc1Br)=O)Sc1nc(cccc2)c2s1

InChI

InChI=1S/C20H17BrN4OS3/c1-2-16(28-20-22-14-5-3-4-6-17(14)29-20)18(26)23-19-25-24-15(11-27-19)12-7-9-13(21)10-8-12/h3-10,16H,2,11H2,1H3,(H,23,25,26)/t16-/m0/s1

InChI Key

XYIKRTAIYBBDAP-INIZCTEOSA-N

MDL Number (MFCD)

MFCD08555051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.48

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

6.663

Distribution Coefficient, logD

6.662

Water Solubility, LogSw

-5.78

Polar Surface Area

52.094

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

D026-0053 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 D026-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D026-0053?
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What is the minimum amount of D026-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D026-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D026-0053
  • 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 D026-0053 available by request