D652-0041 Screening compound: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2-fluorophenoxy)propan-1-one

D652-0041 Screening compound: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2-fluorophenoxy)propan-1-one
D652-0041 Screening compound: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2-fluorophenoxy)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D652-0041
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2-fluorophenoxy)propan-1-one

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

D652-0041

Molecular Formula

C21H21FN2O2S (C21 H21 FN2 O2 S)

Compound Name

1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2-fluorophenoxy)propan-1-one

IUPAC name

1-[4-(13-benzothiazol-2-yl)piperidin-1-yl]-2-(2-fluorophenoxy)propan-1-one

SMILES

CC(C(N(CC1)CCC1c1nc(cccc2)c2s1)=O)Oc(cccc1)c1F

InChI

InChI=1S/C21H21FN2O2S/c1-14(26-18-8-4-2-6-16(18)22)21(25)24-12-10-15(11-13-24)20-23-17-7-3-5-9-19(17)27-20/h2-9,14-15H,10-13H2,1H3/t14-/m0/s1

InChI Key

ZBWFWTRJEGAVFI-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD08545059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.519

Distribution Coefficient, logD

4.519

Water Solubility, LogSw

-4.31

Polar Surface Area

33.211

Acid Dissociation Constant (pKa)

22.87

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D652-0041 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D652-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D652-0041?
Check Price and Availability of D652-0041, 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 D652-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D652-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D652-0041
  • 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 D652-0041 available by request