L898-1261 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-2-({3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}sulfanyl)acetamide

L898-1261 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-2-({3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}sulfanyl)acetamide
L898-1261 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-2-({3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L898-1261
N-{[4-(dimethylamino)phenyl]methyl}-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

L898-1261

Molecular Formula

C22H24N4OS2 (C22 H24 N4 OS2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(Sc2nccnc2SCC(NCc(cc2)ccc2N(C)C)=O)c1

InChI

InChI=1S/C22H24N4OS2/c1-16-5-4-6-19(13-16)29-22-21(23-11-12-24-22)28-15-20(27)25-14-17-7-9-18(10-8-17)26(2)3/h4-13H,14-15H2,1-3H3,(H,25,27)

InChI Key

FOJHVXSCBZEDEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27485213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.59

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

4.186

Distribution Coefficient, logD

4.171

Water Solubility, LogSw

-4.25

Polar Surface Area

45.330

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

L898-1261 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 L898-1261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L898-1261?
Check Price and Availability of L898-1261, 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 L898-1261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L898-1261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L898-1261
  • 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 L898-1261 available by request