L413-0196 Screening compound: N~1~-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-4-(1-propionyl-2,3-dihydro-1H-indol-5-yl)benzamide

L413-0196 Screening compound: N~1~-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-4-(1-propionyl-2,3-dihydro-1H-indol-5-yl)benzamide
L413-0196 Screening compound: N~1~-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-4-(1-propionyl-2,3-dihydro-1H-indol-5-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L413-0196
N~1~-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-4-(1-propionyl-2,3-dihydro-1H-indol-5-yl)benzamide

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

L413-0196

Molecular Formula

C25H28N4O2S (C25 H28 N4 O2 S)

Compound Name

N~1~-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-4-(1-propionyl-2,3-dihydro-1H-indol-5-yl)benzamide

IUPAC name

n/a

SMILES

CCC(N(CC1)c(cc2)c1cc2-c(cc1)ccc1C(NCCSCc1c(C)[nH]cn1)=O)=O

InChI

InChI=1S/C25H28N4O2S/c1-3-24(30)29-12-10-21-14-20(8-9-23(21)29)18-4-6-19(7-5-18)25(31)26-11-13-32-15-22-17(2)27-16-28-22/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,26,31)(H,27,28)

InChI Key

RWDDYJZRHKDRCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27251447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.894

Distribution Coefficient, logD

3.543

Water Solubility, LogSw

-3.98

Polar Surface Area

62.316

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

7.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

L413-0196 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with L413-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L413-0196?
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What is the minimum amount of L413-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L413-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L413-0196
  • 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 L413-0196 available by request