L880-0025 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-({3-ethyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide

L880-0025 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-({3-ethyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide
L880-0025 Screening compound: N-(3-chloro-4-methoxyphenyl)-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 L880-0025
N-(3-chloro-4-methoxyphenyl)-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

L880-0025

Molecular Formula

C23H23ClN4O4S (C23 H23 ClN4 O4 S)

Compound Name

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

IUPAC name

N-(3-chloro-4-methoxyphenyl)-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)cc(Cl)c2OC)=O)=Nc2c1n(C)c(cc1)c2cc1OC

InChI

InChI=1S/C23H23ClN4O4S/c1-5-28-22(30)21-20(15-11-14(31-3)7-8-17(15)27(21)2)26-23(28)33-12-19(29)25-13-6-9-18(32-4)16(24)10-13/h6-11H,5,12H2,1-4H3,(H,25,29)

InChI Key

LWPBZTSZVMZRLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16640228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.032

Distribution Coefficient, logD

4.032

Water Solubility, LogSw

-4.43

Polar Surface Area

63.762

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

L880-0025 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 L880-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L880-0025?
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What is the minimum amount of L880-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L880-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L880-0025
  • 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 L880-0025 available by request