L898-0404 Screening compound: N-(3-bromophenyl)-2-{[3-(phenylsulfanyl)pyrazin-2-yl]sulfanyl}acetamide

L898-0404 Screening compound: N-(3-bromophenyl)-2-{[3-(phenylsulfanyl)pyrazin-2-yl]sulfanyl}acetamide
L898-0404 Screening compound: N-(3-bromophenyl)-2-{[3-(phenylsulfanyl)pyrazin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L898-0404
N-(3-bromophenyl)-2-{[3-(phenylsulfanyl)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

L898-0404

Molecular Formula

C18H14BrN3OS2 (C18 H14 BrN3 OS2)

Compound Name

N-(3-bromophenyl)-2-{[3-(phenylsulfanyl)pyrazin-2-yl]sulfanyl}acetamide

IUPAC name

N-(3-bromophenyl)-2-{[3-(phenylsulfanyl)pyrazin-2-yl]sulfanyl}acetamide

SMILES

O=C(CSc1nccnc1Sc1ccccc1)Nc1cccc(Br)c1

InChI

InChI=1S/C18H14BrN3OS2/c19-13-5-4-6-14(11-13)22-16(23)12-24-17-18(21-10-9-20-17)25-15-7-2-1-3-8-15/h1-11H,12H2,(H,22,23)

InChI Key

PNJDMMIFFLOJIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27485033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.783

Distribution Coefficient, logD

4.783

Water Solubility, LogSw

-4.79

Polar Surface Area

41.203

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

L898-0404 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 L898-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L898-0404?
Check Price and Availability of L898-0404, 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 L898-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L898-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L898-0404
  • 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 L898-0404 available by request