L995-0331 Screening compound: 3-(piperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]-1,2-benzoxazole-5-sulfonamide

L995-0331 Screening compound: 3-(piperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]-1,2-benzoxazole-5-sulfonamide
L995-0331 Screening compound: 3-(piperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]-1,2-benzoxazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L995-0331
3-(piperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]-1,2-benzoxazole-5-sulfonamide

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

L995-0331

Molecular Formula

C20H18F3N3O4S (C20 H18 F3 N3 O4 S)

Compound Name

3-(piperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]-1,2-benzoxazole-5-sulfonamide

IUPAC name

3-(piperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]-12-benzoxazole-5-sulfonamide

SMILES

O=C(c1noc(cc2)c1cc2S(Nc1cc(C(F)(F)F)ccc1)(=O)=O)N1CCCCC1

InChI

InChI=1S/C20H18F3N3O4S/c21-20(22,23)13-5-4-6-14(11-13)25-31(28,29)15-7-8-17-16(12-15)18(24-30-17)19(27)26-9-2-1-3-10-26/h4-8,11-12,25H,1-3,9-10H2

InChI Key

XTCWPNBCTBTWGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27491352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.164

Distribution Coefficient, logD

3.164

Water Solubility, LogSw

-4.16

Polar Surface Area

79.735

Acid Dissociation Constant (pKa)

6.45

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

L995-0331 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 L995-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L995-0331?
Check Price and Availability of L995-0331, 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 L995-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L995-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L995-0331
  • 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 L995-0331 available by request