8010-0904 Screening compound: [4-(1,3-benzothiazol-2-yl)piperazino](4-chlorophenyl)methanone

8010-0904 Screening compound: [4-(1,3-benzothiazol-2-yl)piperazino](4-chlorophenyl)methanone
8010-0904 Screening compound: [4-(1,3-benzothiazol-2-yl)piperazino](4-chlorophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0904
[4-(1,3-benzothiazol-2-yl)piperazino](4-chlorophenyl)methanone

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

8010-0904

Molecular Formula

C18H16ClN3OS (C18 H16 ClN3 OS)

Compound Name

[4-(1,3-benzothiazol-2-yl)piperazino](4-chlorophenyl)methanone

IUPAC name

2-[4-(4-chlorobenzoyl)piperazin-1-yl]-13-benzothiazole

SMILES

O=C(c(cc1)ccc1Cl)N(CC1)CCN1c1nc(cccc2)c2s1

InChI

InChI=1S/C18H16ClN3OS/c19-14-7-5-13(6-8-14)17(23)21-9-11-22(12-10-21)18-20-15-3-1-2-4-16(15)24-18/h1-8H,9-12H2

InChI Key

LCAQNHDORKWHII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01626219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.219

Distribution Coefficient, logD

4.219

Water Solubility, LogSw

-4.62

Polar Surface Area

29.682

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

8010-0904 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8010-0904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0904?
Check Price and Availability of 8010-0904, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8010-0904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0904
  • 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 8010-0904 available by request