L898-1172 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}sulfanyl)acetamide

L898-1172 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}sulfanyl)acetamide
L898-1172 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L898-1172
N-[2-(cyclohex-1-en-1-yl)ethyl]-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

L898-1172

Molecular Formula

C21H25N3OS2 (C21 H25 N3 OS2)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}sulfanyl)acetamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}sulfanyl)acetamide

SMILES

Cc1cccc(Sc2nccnc2SCC(NCCC2=CCCCC2)=O)c1

InChI

InChI=1S/C21H25N3OS2/c1-16-6-5-9-18(14-16)27-21-20(23-12-13-24-21)26-15-19(25)22-11-10-17-7-3-2-4-8-17/h5-7,9,12-14H,2-4,8,10-11,15H2,1H3,(H,22,25)

InChI Key

JTAGMTHXYKUZRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27485184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.241

Distribution Coefficient, logD

4.241

Water Solubility, LogSw

-4.21

Polar Surface Area

42.559

Acid Dissociation Constant (pKa)

15.25

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

L898-1172 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with L898-1172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L898-1172?
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What is the minimum amount of L898-1172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L898-1172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L898-1172
  • 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 L898-1172 available by request