L880-0182 Screening compound: N-(4-acetylphenyl)-2-({8-methoxy-5-methyl-4-oxo-3-propyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide

L880-0182 Screening compound: N-(4-acetylphenyl)-2-({8-methoxy-5-methyl-4-oxo-3-propyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide
L880-0182 Screening compound: N-(4-acetylphenyl)-2-({8-methoxy-5-methyl-4-oxo-3-propyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L880-0182
N-(4-acetylphenyl)-2-({8-methoxy-5-methyl-4-oxo-3-propyl-3H,4H,5H-pyrimido[5,4-b]indol-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

L880-0182

Molecular Formula

C25H26N4O4S (C25 H26 N4 O4 S)

Compound Name

N-(4-acetylphenyl)-2-({8-methoxy-5-methyl-4-oxo-3-propyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide

IUPAC name

N-(4-acetylphenyl)-2-({8-methoxy-5-methyl-4-oxo-3-propyl-3H4H5H-pyrimido[54-b]indol-2-yl}sulfanyl)acetamide

SMILES

CCCN(C1=O)C(SCC(Nc(cc2)ccc2C(C)=O)=O)=Nc2c1n(C)c(cc1)c2cc1OC

InChI

InChI=1S/C25H26N4O4S/c1-5-12-29-24(32)23-22(19-13-18(33-4)10-11-20(19)28(23)3)27-25(29)34-14-21(31)26-17-8-6-16(7-9-17)15(2)30/h6-11,13H,5,12,14H2,1-4H3,(H,26,31)

InChI Key

MRYJEYCQAQRJBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15136081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.553

Distribution Coefficient, logD

3.553

Water Solubility, LogSw

-3.94

Polar Surface Area

70.212

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

L880-0182 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L880-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L880-0182?
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What is the minimum amount of L880-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L880-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L880-0182
  • 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 L880-0182 available by request