L258-0167 Screening compound: 3-{2-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]ethyl}-1-[3-(methylsulfanyl)phenyl]urea

L258-0167 Screening compound: 3-{2-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]ethyl}-1-[3-(methylsulfanyl)phenyl]urea
L258-0167 Screening compound: 3-{2-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]ethyl}-1-[3-(methylsulfanyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L258-0167
3-{2-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]ethyl}-1-[3-(methylsulfanyl)phenyl]urea

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

L258-0167

Molecular Formula

C22H29N3O3S2 (C22 H29 N3 O3 S2)

Compound Name

3-{2-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]ethyl}-1-[3-(methylsulfanyl)phenyl]urea

IUPAC name

3-{2-[1-(4-methylbenzenesulfonyl)piperidin-4-yl]ethyl}-1-[3-(methylsulfanyl)phenyl]urea

SMILES

Cc(cc1)ccc1S(N1CCC(CCNC(Nc2cc(SC)ccc2)=O)CC1)(=O)=O

InChI

InChI=1S/C22H29N3O3S2/c1-17-6-8-21(9-7-17)30(27,28)25-14-11-18(12-15-25)10-13-23-22(26)24-19-4-3-5-20(16-19)29-2/h3-9,16,18H,10-15H2,1-2H3,(H2,23,24,26)

InChI Key

XVYGLCDXSYFSDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27238425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.612

Distribution Coefficient, logD

4.612

Water Solubility, LogSw

-4.27

Polar Surface Area

65.416

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

L258-0167 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L258-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L258-0167?
Check Price and Availability of L258-0167, 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 L258-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L258-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L258-0167
  • 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 L258-0167 available by request