L899-0149 Screening compound: 2-{[3-(4-methylphenoxy)pyrazin-2-yl]sulfanyl}-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide

L899-0149 Screening compound: 2-{[3-(4-methylphenoxy)pyrazin-2-yl]sulfanyl}-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
L899-0149 Screening compound: 2-{[3-(4-methylphenoxy)pyrazin-2-yl]sulfanyl}-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L899-0149
2-{[3-(4-methylphenoxy)pyrazin-2-yl]sulfanyl}-N-{[3-(trifluoromethyl)phenyl]methyl}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

L899-0149

Molecular Formula

C21H18F3N3O2S (C21 H18 F3 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1Oc1nccnc1SCC(NCc1cc(C(F)(F)F)ccc1)=O

InChI

InChI=1S/C21H18F3N3O2S/c1-14-5-7-17(8-6-14)29-19-20(26-10-9-25-19)30-13-18(28)27-12-15-3-2-4-16(11-15)21(22,23)24/h2-11H,12-13H2,1H3,(H,27,28)

InChI Key

YEUATMWIHLGWPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27485261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.817

Distribution Coefficient, logD

4.817

Water Solubility, LogSw

-4.69

Polar Surface Area

50.171

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

L899-0149 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 L899-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L899-0149?
Check Price and Availability of L899-0149, 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 L899-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L899-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L899-0149
  • 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 L899-0149 available by request