L880-0314 Screening compound: 2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-8-methoxy-3,5-dimethyl-3H,4H,5H-pyrimido[5,4-b]indol-4-one

L880-0314 Screening compound: 2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-8-methoxy-3,5-dimethyl-3H,4H,5H-pyrimido[5,4-b]indol-4-one
L880-0314 Screening compound: 2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-8-methoxy-3,5-dimethyl-3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L880-0314
2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-8-methoxy-3,5-dimethyl-3H,4H,5H-pyrimido[5,4-b]indol-4-one

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

L880-0314

Molecular Formula

C22H28N4O3S (C22 H28 N4 O3 S)

Compound Name

2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-8-methoxy-3,5-dimethyl-3H,4H,5H-pyrimido[5,4-b]indol-4-one

IUPAC name

2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-8-methoxy-35-dimethyl-3H4H5H-pyrimido[54-b]indol-4-one

SMILES

CCC(CCCC1)N1C(CSC(N(C)C1=O)=Nc2c1n(C)c(cc1)c2cc1OC)=O

InChI

InChI=1S/C22H28N4O3S/c1-5-14-8-6-7-11-26(14)18(27)13-30-22-23-19-16-12-15(29-4)9-10-17(16)24(2)20(19)21(28)25(22)3/h9-10,12,14H,5-8,11,13H2,1-4H3/t14-/m0/s1

InChI Key

FCMONVHZJQRRIM-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27484060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.998

Distribution Coefficient, logD

2.998

Water Solubility, LogSw

-3.19

Polar Surface Area

49.062

Acid Dissociation Constant (pKa)

27.42

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

L880-0314 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 L880-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L880-0314?
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What is the minimum amount of L880-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L880-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L880-0314
  • 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 L880-0314 available by request