L880-0145 Screening compound: N-(4-fluorophenyl)-2-({8-methoxy-5-methyl-4-oxo-3-propyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide

L880-0145 Screening compound: N-(4-fluorophenyl)-2-({8-methoxy-5-methyl-4-oxo-3-propyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide
L880-0145 Screening compound: N-(4-fluorophenyl)-2-({8-methoxy-5-methyl-4-oxo-3-propyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L880-0145
N-(4-fluorophenyl)-2-({8-methoxy-5-methyl-4-oxo-3-propyl-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

L880-0145

Molecular Formula

C23H23FN4O3S (C23 H23 FN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCN(C1=O)C(SCC(Nc(cc2)ccc2F)=O)=Nc2c1n(C)c(cc1)c2cc1OC

InChI

InChI=1S/C23H23FN4O3S/c1-4-11-28-22(30)21-20(17-12-16(31-3)9-10-18(17)27(21)2)26-23(28)32-13-19(29)25-15-7-5-14(24)6-8-15/h5-10,12H,4,11,13H2,1-3H3,(H,25,29)

InChI Key

UXWSDBDJBWYJMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16640111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.53

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

4.040

Distribution Coefficient, logD

4.040

Water Solubility, LogSw

-4.08

Polar Surface Area

56.385

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

L880-0145 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 L880-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L880-0145?
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What is the minimum amount of L880-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L880-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L880-0145
  • 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 L880-0145 available by request