L880-0304 Screening compound: N-(3-chloro-2-methylphenyl)-2-({8-methoxy-3,5-dimethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide

L880-0304 Screening compound: N-(3-chloro-2-methylphenyl)-2-({8-methoxy-3,5-dimethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide
L880-0304 Screening compound: N-(3-chloro-2-methylphenyl)-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 L880-0304
N-(3-chloro-2-methylphenyl)-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

L880-0304

Molecular Formula

C22H21ClN4O3S (C22 H21 ClN4 O3 S)

Compound Name

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

IUPAC name

N-(3-chloro-2-methylphenyl)-2-({8-methoxy-35-dimethyl-4-oxo-3H4H5H-pyrimido[54-b]indol-2-yl}sulfanyl)acetamide

SMILES

Cc(c(NC(CSC(N(C)C1=O)=Nc2c1n(C)c(cc1)c2cc1OC)=O)ccc1)c1Cl

InChI

InChI=1S/C22H21ClN4O3S/c1-12-15(23)6-5-7-16(12)24-18(28)11-31-22-25-19-14-10-13(30-4)8-9-17(14)26(2)20(19)21(29)27(22)3/h5-10H,11H2,1-4H3,(H,24,28)

InChI Key

NHFUOAAPGGLVNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16640263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.95

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

3.811

Distribution Coefficient, logD

3.811

Water Solubility, LogSw

-4.15

Polar Surface Area

55.475

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

L880-0304 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 L880-0304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L880-0304?
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What is the minimum amount of L880-0304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L880-0304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L880-0304
  • 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 L880-0304 available by request