L880-0079 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({3-ethyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide

L880-0079 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({3-ethyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide
L880-0079 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({3-ethyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L880-0079
N-(2H-1,3-benzodioxol-5-yl)-2-({3-ethyl-8-methoxy-5-methyl-4-oxo-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

L880-0079

Molecular Formula

C23H22N4O5S (C23 H22 N4 O5 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-({3-ethyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-({3-ethyl-8-methoxy-5-methyl-4-oxo-3H4H5H-pyrimido[54-b]indol-2-yl}sulfanyl)acetamide

SMILES

CCN(C1=O)C(SCC(Nc(cc2)cc3c2OCO3)=O)=Nc2c1n(C)c(cc1)c2cc1OC

InChI

InChI=1S/C23H22N4O5S/c1-4-27-22(29)21-20(15-10-14(30-3)6-7-16(15)26(21)2)25-23(27)33-11-19(28)24-13-5-8-17-18(9-13)32-12-31-17/h5-10H,4,11-12H2,1-3H3,(H,24,28)

InChI Key

IABFEROZZLZGPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16640108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.354

Distribution Coefficient, logD

3.354

Water Solubility, LogSw

-3.71

Polar Surface Area

73.247

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

L880-0079 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

DGK Inhibitors Library (10558 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
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
  • Kinases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L880-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L880-0079?
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What is the minimum amount of L880-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L880-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L880-0079
  • 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 L880-0079 available by request