8019-9985 Screening compound: 2-(pyrrolidin-2-yl)-1,3-benzothiazole

8019-9985 Screening compound: 2-(pyrrolidin-2-yl)-1,3-benzothiazole
8019-9985 Screening compound: 2-(pyrrolidin-2-yl)-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-9985
2-(pyrrolidin-2-yl)-1,3-benzothiazole

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

8019-9985

Molecular Formula

C11H12N2S (C11 H12 N2 S)

Compound Name

2-(pyrrolidin-2-yl)-1,3-benzothiazole

IUPAC name

2-(pyrrolidin-2-yl)-13-benzothiazole

SMILES

C(C1)CNC1c1nc(cccc2)c2s1

InChI

InChI=1S/C11H12N2S/c1-2-6-10-8(4-1)13-11(14-10)9-5-3-7-12-9/h1-2,4,6,9,12H,3,5,7H2/t9-/m0/s1

InChI Key

YTKAWFHOEDFUOP-VIFPVBQESA-N

MDL Number (MFCD)

MFCD05262950

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

204.3

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

1.065

Distribution Coefficient, logD

0.475

Water Solubility, LogSw

-1.45

Polar Surface Area

22.358

Acid Dissociation Constant (pKa)

24.31

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

8019-9985 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with 8019-9985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-9985?
Check Price and Availability of 8019-9985, 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 8019-9985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-9985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-9985
  • 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 8019-9985 available by request