L982-0127 Screening compound: 6,8-dimethyl-N-[(4-methylphenyl)methyl]-2-({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide

L982-0127 Screening compound: 6,8-dimethyl-N-[(4-methylphenyl)methyl]-2-({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
L982-0127 Screening compound: 6,8-dimethyl-N-[(4-methylphenyl)methyl]-2-({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L982-0127
6,8-dimethyl-N-[(4-methylphenyl)methyl]-2-({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide

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

L982-0127

Molecular Formula

C26H27N5O3S (C26 H27 N5 O3 S)

Compound Name

6,8-dimethyl-N-[(4-methylphenyl)methyl]-2-({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide

IUPAC name

68-dimethyl-N-[(4-methylphenyl)methyl]-2-({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)-1-oxo-1H2H-pyrrolo[12-d][124]triazine-7-carboxamide

SMILES

Cc1c(C(N(CC(Nc2cccc(SC)c2)=O)N=C2)=O)n2c(C)c1C(NCc1ccc(C)cc1)=O

InChI

InChI=1S/C26H27N5O3S/c1-16-8-10-19(11-9-16)13-27-25(33)23-17(2)24-26(34)31(28-15-30(24)18(23)3)14-22(32)29-20-6-5-7-21(12-20)35-4/h5-12,15H,13-14H2,1-4H3,(H,27,33)(H,29,32)

InChI Key

OLTRJVXQSGAZKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27491116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.102

Distribution Coefficient, logD

3.101

Water Solubility, LogSw

-3.31

Polar Surface Area

77.519

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

L982-0127 in Drug Discovery

Included in Screening Libraries

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L982-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L982-0127?
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What is the minimum amount of L982-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L982-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L982-0127
  • 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 L982-0127 available by request