L880-0295 Screening compound: N-[4-(diethylamino)-2-methylphenyl]-2-({8-methoxy-3,5-dimethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide

L880-0295 Screening compound: N-[4-(diethylamino)-2-methylphenyl]-2-({8-methoxy-3,5-dimethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide
L880-0295 Screening compound: N-[4-(diethylamino)-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 L880-0295
N-[4-(diethylamino)-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

L880-0295

Molecular Formula

C26H31N5O3S (C26 H31 N5 O3 S)

Compound Name

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

SMILES

CCN(CC)c(cc1)cc(C)c1NC(CSC(N(C)C1=O)=Nc2c1n(C)c(cc1)c2cc1OC)=O

InChI

InChI=1S/C26H31N5O3S/c1-7-31(8-2)17-9-11-20(16(3)13-17)27-22(32)15-35-26-28-23-19-14-18(34-6)10-12-21(19)29(4)24(23)25(33)30(26)5/h9-14H,7-8,15H2,1-6H3,(H,27,32)

InChI Key

AOHYUPRBVRWNAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16640259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.781

Distribution Coefficient, logD

3.572

Water Solubility, LogSw

-4.04

Polar Surface Area

58.211

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

9.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

L880-0295 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 L880-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L880-0295?
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What is the minimum amount of L880-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L880-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L880-0295
  • 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 L880-0295 available by request