L982-0115 Screening compound: 6,8-dimethyl-N-[(4-methylphenyl)methyl]-2-({[(4-methylphenyl)methyl]carbamoyl}methyl)-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide

L982-0115 Screening compound: 6,8-dimethyl-N-[(4-methylphenyl)methyl]-2-({[(4-methylphenyl)methyl]carbamoyl}methyl)-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
L982-0115 Screening compound: 6,8-dimethyl-N-[(4-methylphenyl)methyl]-2-({[(4-methylphenyl)methyl]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 L982-0115
6,8-dimethyl-N-[(4-methylphenyl)methyl]-2-({[(4-methylphenyl)methyl]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

L982-0115

Molecular Formula

C27H29N5O3 (C27 H29 N5 O3)

Compound Name

6,8-dimethyl-N-[(4-methylphenyl)methyl]-2-({[(4-methylphenyl)methyl]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-({[(4-methylphenyl)methyl]carbamoyl}methyl)-1-oxo-1H2H-pyrrolo[12-d][124]triazine-7-carboxamide

SMILES

Cc1c(C(N(CC(NCc2ccc(C)cc2)=O)N=C2)=O)n2c(C)c1C(NCc1ccc(C)cc1)=O

InChI

InChI=1S/C27H29N5O3/c1-17-5-9-21(10-6-17)13-28-23(33)15-32-27(35)25-19(3)24(20(4)31(25)16-30-32)26(34)29-14-22-11-7-18(2)8-12-22/h5-12,16H,13-15H2,1-4H3,(H,28,33)(H,29,34)

InChI Key

XXNDVMFGKVOXFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27491111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.643

Distribution Coefficient, logD

2.641

Water Solubility, LogSw

-2.92

Polar Surface Area

78.841

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

L982-0115 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Others

References: we are preparing a list of scientific research reports with L982-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L982-0115?
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What is the minimum amount of L982-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L982-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L982-0115
  • 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 L982-0115 available by request