L901-0168 Screening compound: 2-{[3-(4-methylphenoxy)pyrazin-2-yl]sulfanyl}-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide

L901-0168 Screening compound: 2-{[3-(4-methylphenoxy)pyrazin-2-yl]sulfanyl}-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
L901-0168 Screening compound: 2-{[3-(4-methylphenoxy)pyrazin-2-yl]sulfanyl}-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L901-0168
2-{[3-(4-methylphenoxy)pyrazin-2-yl]sulfanyl}-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide

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

L901-0168

Molecular Formula

C25H29N5O2S (C25 H29 N5 O2 S)

Compound Name

2-{[3-(4-methylphenoxy)pyrazin-2-yl]sulfanyl}-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide

IUPAC name

2-{[3-(4-methylphenoxy)pyrazin-2-yl]sulfanyl}-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide

SMILES

Cc(cc1)ccc1Oc1nccnc1Sc(cccc1)c1C(NCCN1CCN(C)CC1)=O

InChI

InChI=1S/C25H29N5O2S/c1-19-7-9-20(10-8-19)32-24-25(28-12-11-27-24)33-22-6-4-3-5-21(22)23(31)26-13-14-30-17-15-29(2)16-18-30/h3-12H,13-18H2,1-2H3,(H,26,31)

InChI Key

XCKBZEKZVNSODB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27485555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.737

Distribution Coefficient, logD

3.069

Water Solubility, LogSw

-3.91

Polar Surface Area

57.413

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

L901-0168 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with L901-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L901-0168?
Check Price and Availability of L901-0168, 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 L901-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L901-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L901-0168
  • 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 L901-0168 available by request