L880-0111 Screening compound: 2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-3-ethyl-8-methoxy-5-methyl-3H,4H,5H-pyrimido[5,4-b]indol-4-one

L880-0111 Screening compound: 2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-3-ethyl-8-methoxy-5-methyl-3H,4H,5H-pyrimido[5,4-b]indol-4-one
L880-0111 Screening compound: 2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-3-ethyl-8-methoxy-5-methyl-3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L880-0111
2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-3-ethyl-8-methoxy-5-methyl-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

L880-0111

Molecular Formula

C20H22N4O3S (C20 H22 N4 O3 S)

Compound Name

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

IUPAC name

2-{[(35-dimethyl-12-oxazol-4-yl)methyl]sulfanyl}-3-ethyl-8-methoxy-5-methyl-3H4H5H-pyrimido[54-b]indol-4-one

SMILES

CCN(C1=O)C(SCc2c(C)onc2C)=Nc2c1n(C)c(cc1)c2cc1OC

InChI

InChI=1S/C20H22N4O3S/c1-6-24-19(25)18-17(14-9-13(26-5)7-8-16(14)23(18)4)21-20(24)28-10-15-11(2)22-27-12(15)3/h7-9H,6,10H2,1-5H3

InChI Key

IYEDHLBDFOYKTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27484026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.319

Distribution Coefficient, logD

3.319

Water Solubility, LogSw

-3.68

Polar Surface Area

55.020

Acid Dissociation Constant (pKa)

28.56

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

L880-0111 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

DGK Inhibitors Library (10558 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • 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 L880-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L880-0111?
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What is the minimum amount of L880-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L880-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L880-0111
  • 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 L880-0111 available by request