L899-0044 Screening compound: N-(4-ethylphenyl)-2-{[3-(4-methylphenoxy)pyrazin-2-yl]sulfanyl}acetamide

L899-0044 Screening compound: N-(4-ethylphenyl)-2-{[3-(4-methylphenoxy)pyrazin-2-yl]sulfanyl}acetamide
L899-0044 Screening compound: N-(4-ethylphenyl)-2-{[3-(4-methylphenoxy)pyrazin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L899-0044
N-(4-ethylphenyl)-2-{[3-(4-methylphenoxy)pyrazin-2-yl]sulfanyl}acetamide

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

L899-0044

Molecular Formula

C21H21N3O2S (C21 H21 N3 O2 S)

Compound Name

N-(4-ethylphenyl)-2-{[3-(4-methylphenoxy)pyrazin-2-yl]sulfanyl}acetamide

IUPAC name

N-(4-ethylphenyl)-2-{[3-(4-methylphenoxy)pyrazin-2-yl]sulfanyl}acetamide

SMILES

CCc(cc1)ccc1NC(CSc1nccnc1Oc1ccc(C)cc1)=O

InChI

InChI=1S/C21H21N3O2S/c1-3-16-6-8-17(9-7-16)24-19(25)14-27-21-20(22-12-13-23-21)26-18-10-4-15(2)5-11-18/h4-13H,3,14H2,1-2H3,(H,24,25)

InChI Key

ZYVUTRBIKDMFRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27485225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.267

Distribution Coefficient, logD

5.267

Water Solubility, LogSw

-5.11

Polar Surface Area

48.849

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

L899-0044 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 L899-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L899-0044?
Check Price and Availability of L899-0044, 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 L899-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L899-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L899-0044
  • 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 L899-0044 available by request