L880-0066 Screening compound: 2-({3-ethyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-propylacetamide

L880-0066 Screening compound: 2-({3-ethyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-propylacetamide
L880-0066 Screening compound: 2-({3-ethyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L880-0066
2-({3-ethyl-8-methoxy-5-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-propylacetamide

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

L880-0066

Molecular Formula

C19H24N4O3S (C19 H24 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCNC(CSC(N(CC)C1=O)=Nc2c1n(C)c(cc1)c2cc1OC)=O

InChI

InChI=1S/C19H24N4O3S/c1-5-9-20-15(24)11-27-19-21-16-13-10-12(26-4)7-8-14(13)22(3)17(16)18(25)23(19)6-2/h7-8,10H,5-6,9,11H2,1-4H3,(H,20,24)

InChI Key

LKLQGGGGAIENNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27484019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.269

Distribution Coefficient, logD

2.269

Water Solubility, LogSw

-2.87

Polar Surface Area

57.567

Acid Dissociation Constant (pKa)

16.02

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

L880-0066 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 L880-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L880-0066?
Check Price and Availability of L880-0066, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L880-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L880-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L880-0066
  • 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 L880-0066 available by request