L880-0330 Screening compound: N-(2,3-dihydro-1H-inden-5-yl)-2-({8-methoxy-3,5-dimethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide

L880-0330 Screening compound: N-(2,3-dihydro-1H-inden-5-yl)-2-({8-methoxy-3,5-dimethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide
L880-0330 Screening compound: N-(2,3-dihydro-1H-inden-5-yl)-2-({8-methoxy-3,5-dimethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L880-0330
N-(2,3-dihydro-1H-inden-5-yl)-2-({8-methoxy-3,5-dimethyl-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

L880-0330

Molecular Formula

C24H24N4O3S (C24 H24 N4 O3 S)

Compound Name

N-(2,3-dihydro-1H-inden-5-yl)-2-({8-methoxy-3,5-dimethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide

IUPAC name

N-(23-dihydro-1H-inden-5-yl)-2-({8-methoxy-35-dimethyl-4-oxo-3H4H5H-pyrimido[54-b]indol-2-yl}sulfanyl)acetamide

SMILES

Cn(c(cc1)c2cc1OC)c(C(N1C)=O)c2N=C1SCC(Nc1cc(CCC2)c2cc1)=O

InChI

InChI=1S/C24H24N4O3S/c1-27-19-10-9-17(31-3)12-18(19)21-22(27)23(30)28(2)24(26-21)32-13-20(29)25-16-8-7-14-5-4-6-15(14)11-16/h7-12H,4-6,13H2,1-3H3,(H,25,29)

InChI Key

HNXRKAALBWHQMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16640272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.817

Distribution Coefficient, logD

3.817

Water Solubility, LogSw

-4.03

Polar Surface Area

56.459

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

L880-0330 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 L880-0330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L880-0330?
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What is the minimum amount of L880-0330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L880-0330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L880-0330
  • 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 L880-0330 available by request