D652-0011 Screening compound: 2-[1-(2-bromobenzoyl)piperidin-4-yl]-1,3-benzothiazole

D652-0011 Screening compound: 2-[1-(2-bromobenzoyl)piperidin-4-yl]-1,3-benzothiazole
D652-0011 Screening compound: 2-[1-(2-bromobenzoyl)piperidin-4-yl]-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D652-0011
2-[1-(2-bromobenzoyl)piperidin-4-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

D652-0011

Molecular Formula

C19H17BrN2OS (C19 H17 BrN2 OS)

Compound Name

2-[1-(2-bromobenzoyl)piperidin-4-yl]-1,3-benzothiazole

IUPAC name

2-[1-(2-bromobenzoyl)piperidin-4-yl]-13-benzothiazole

SMILES

O=C(c(cccc1)c1Br)N(CC1)CCC1c1nc(cccc2)c2s1

InChI

InChI=1S/C19H17BrN2OS/c20-15-6-2-1-5-14(15)19(23)22-11-9-13(10-12-22)18-21-16-7-3-4-8-17(16)24-18/h1-8,13H,9-12H2

InChI Key

URCNUFBBQLRUOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04204524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.376

Distribution Coefficient, logD

4.376

Water Solubility, LogSw

-4.42

Polar Surface Area

26.336

Acid Dissociation Constant (pKa)

26.01

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

D652-0011 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with D652-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D652-0011?
Check Price and Availability of D652-0011, 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 D652-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D652-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D652-0011
  • 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 D652-0011 available by request