L898-1093 Screening compound: N-(2,4-dimethoxyphenyl)-2-({3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}sulfanyl)acetamide

L898-1093 Screening compound: N-(2,4-dimethoxyphenyl)-2-({3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}sulfanyl)acetamide
L898-1093 Screening compound: N-(2,4-dimethoxyphenyl)-2-({3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L898-1093
N-(2,4-dimethoxyphenyl)-2-({3-[(3-methylphenyl)sulfanyl]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

L898-1093

Molecular Formula

C21H21N3O3S2 (C21 H21 N3 O3 S2)

Compound Name

N-(2,4-dimethoxyphenyl)-2-({3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}sulfanyl)acetamide

IUPAC name

N-(24-dimethoxyphenyl)-2-({3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}sulfanyl)acetamide

SMILES

Cc1cccc(Sc2nccnc2SCC(Nc(ccc(OC)c2)c2OC)=O)c1

InChI

InChI=1S/C21H21N3O3S2/c1-14-5-4-6-16(11-14)29-21-20(22-9-10-23-21)28-13-19(25)24-17-8-7-15(26-2)12-18(17)27-3/h4-12H,13H2,1-3H3,(H,24,25)

InChI Key

NYKAUMFXCWIETO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27485152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.160

Distribution Coefficient, logD

4.160

Water Solubility, LogSw

-4.31

Polar Surface Area

55.680

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

L898-1093 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 L898-1093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L898-1093?
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What is the minimum amount of L898-1093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L898-1093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L898-1093
  • 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 L898-1093 available by request