D216-0324 Screening compound: 2-{1-[4-(trifluoromethoxy)benzenesulfonyl]piperidin-4-yl}-1,3-benzothiazole

D216-0324 Screening compound: 2-{1-[4-(trifluoromethoxy)benzenesulfonyl]piperidin-4-yl}-1,3-benzothiazole
D216-0324 Screening compound: 2-{1-[4-(trifluoromethoxy)benzenesulfonyl]piperidin-4-yl}-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0324
2-{1-[4-(trifluoromethoxy)benzenesulfonyl]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

D216-0324

Molecular Formula

C19H17F3N2O3S2 (C19 H17 F3 N2 O3 S2)

Compound Name

2-{1-[4-(trifluoromethoxy)benzenesulfonyl]piperidin-4-yl}-1,3-benzothiazole

IUPAC name

2-{1-[4-(trifluoromethoxy)benzenesulfonyl]piperidin-4-yl}-13-benzothiazole

SMILES

O=S(c(cc1)ccc1OC(F)(F)F)(N(CC1)CCC1c1nc(cccc2)c2s1)=O

InChI

InChI=1S/C19H17F3N2O3S2/c20-19(21,22)27-14-5-7-15(8-6-14)29(25,26)24-11-9-13(10-12-24)18-23-16-3-1-2-4-17(16)28-18/h1-8,13H,9-12H2

InChI Key

FCTUUTCEDROHFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.429

Distribution Coefficient, logD

5.429

Water Solubility, LogSw

-5.78

Polar Surface Area

47.335

Acid Dissociation Constant (pKa)

26.17

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

D216-0324 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D216-0324 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0324?
Check Price and Availability of D216-0324, 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 D216-0324 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0324
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0324
  • 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 D216-0324 available by request