4716-0103 Screening compound: 1-[4-(1,3-benzothiazol-2-yl)piperazino]-2-[(1-phenyl-1H-1,3-benzimidazol-2-yl)sulfanyl]-1-ethanone

4716-0103 Screening compound: 1-[4-(1,3-benzothiazol-2-yl)piperazino]-2-[(1-phenyl-1H-1,3-benzimidazol-2-yl)sulfanyl]-1-ethanone
4716-0103 Screening compound: 1-[4-(1,3-benzothiazol-2-yl)piperazino]-2-[(1-phenyl-1H-1,3-benzimidazol-2-yl)sulfanyl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4716-0103
1-[4-(1,3-benzothiazol-2-yl)piperazino]-2-[(1-phenyl-1H-1,3-benzimidazol-2-yl)sulfanyl]-1-ethanone

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

4716-0103

Molecular Formula

C26H23N5OS2 (C26 H23 N5 OS2)

Compound Name

1-[4-(1,3-benzothiazol-2-yl)piperazino]-2-[(1-phenyl-1H-1,3-benzimidazol-2-yl)sulfanyl]-1-ethanone

IUPAC name

1-[4-(13-benzothiazol-2-yl)piperazin-1-yl]-2-[(1-phenyl-1H-13-benzodiazol-2-yl)sulfanyl]ethan-1-one

SMILES

O=C(CSc1nc(cccc2)c2n1-c1ccccc1)N(CC1)CCN1c1nc(cccc2)c2s1

InChI

InChI=1S/C26H23N5OS2/c32-24(29-14-16-30(17-15-29)25-28-21-11-5-7-13-23(21)34-25)18-33-26-27-20-10-4-6-12-22(20)31(26)19-8-2-1-3-9-19/h1-13H,14-18H2

InChI Key

HHQAJXLIBDFJCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03171030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.550

Distribution Coefficient, logD

5.502

Water Solubility, LogSw

-5.74

Polar Surface Area

40.409

Acid Dissociation Constant (pKa)

20.58

Base Dissociation Constant (pKb)

6.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.23

4716-0103 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4716-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4716-0103?
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What is the minimum amount of 4716-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4716-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4716-0103
  • 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 4716-0103 available by request