L898-0749 Screening compound: N-(3-acetylphenyl)-2-({3-[(2-methylphenyl)sulfanyl]pyrazin-2-yl}sulfanyl)acetamide

L898-0749 Screening compound: N-(3-acetylphenyl)-2-({3-[(2-methylphenyl)sulfanyl]pyrazin-2-yl}sulfanyl)acetamide
L898-0749 Screening compound: N-(3-acetylphenyl)-2-({3-[(2-methylphenyl)sulfanyl]pyrazin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L898-0749
N-(3-acetylphenyl)-2-({3-[(2-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

L898-0749

Molecular Formula

C21H19N3O2S2 (C21 H19 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(c1cccc(NC(CSc2nccnc2Sc2c(C)cccc2)=O)c1)=O

InChI

InChI=1S/C21H19N3O2S2/c1-14-6-3-4-9-18(14)28-21-20(22-10-11-23-21)27-13-19(26)24-17-8-5-7-16(12-17)15(2)25/h3-12H,13H2,1-2H3,(H,24,26)

InChI Key

VKDPGAKSBXNEMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27485099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.077

Distribution Coefficient, logD

4.077

Water Solubility, LogSw

-4.18

Polar Surface Area

55.030

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

L898-0749 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L898-0749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L898-0749?
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What is the minimum amount of L898-0749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L898-0749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L898-0749
  • 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 L898-0749 available by request