L995-0450 Screening compound: N-(2-ethyl-6-methylphenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide

L995-0450 Screening compound: N-(2-ethyl-6-methylphenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
L995-0450 Screening compound: N-(2-ethyl-6-methylphenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L995-0450
N-(2-ethyl-6-methylphenyl)-3-(piperidine-1-carbonyl)-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

L995-0450

Molecular Formula

C22H25N3O4S (C22 H25 N3 O4 S)

Compound Name

N-(2-ethyl-6-methylphenyl)-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide

IUPAC name

N-(2-ethyl-6-methylphenyl)-3-(piperidine-1-carbonyl)-12-benzoxazole-5-sulfonamide

SMILES

CCc(cccc1C)c1NS(c(cc1)cc2c1onc2C(N1CCCCC1)=O)(=O)=O

InChI

InChI=1S/C22H25N3O4S/c1-3-16-9-7-8-15(2)20(16)24-30(27,28)17-10-11-19-18(14-17)21(23-29-19)22(26)25-12-5-4-6-13-25/h7-11,14,24H,3-6,12-13H2,1-2H3

InChI Key

LZWBWYKOFBOFJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27491417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.52

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

3.820

Distribution Coefficient, logD

3.804

Water Solubility, LogSw

-3.74

Polar Surface Area

78.340

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

L995-0450 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L995-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L995-0450?
Check Price and Availability of L995-0450, 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 L995-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L995-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L995-0450
  • 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 L995-0450 available by request