L982-0012 Screening compound: N-benzyl-2-{[(2-ethylphenyl)carbamoyl]methyl}-6,8-dimethyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide

L982-0012 Screening compound: N-benzyl-2-{[(2-ethylphenyl)carbamoyl]methyl}-6,8-dimethyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
L982-0012 Screening compound: N-benzyl-2-{[(2-ethylphenyl)carbamoyl]methyl}-6,8-dimethyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L982-0012
N-benzyl-2-{[(2-ethylphenyl)carbamoyl]methyl}-6,8-dimethyl-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

L982-0012

Molecular Formula

C26H27N5O3 (C26 H27 N5 O3)

Compound Name

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

IUPAC name

N-benzyl-2-{[(2-ethylphenyl)carbamoyl]methyl}-68-dimethyl-1-oxo-1H2H-pyrrolo[12-d][124]triazine-7-carboxamide

SMILES

CCc(cccc1)c1NC(CN(C1=O)N=Cn2c1c(C)c(C(NCc1ccccc1)=O)c2C)=O

InChI

InChI=1S/C26H27N5O3/c1-4-20-12-8-9-13-21(20)29-22(32)15-31-26(34)24-17(2)23(18(3)30(24)16-28-31)25(33)27-14-19-10-6-5-7-11-19/h5-13,16H,4,14-15H2,1-3H3,(H,27,33)(H,29,32)

InChI Key

LLOPJPAURQYVMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27491083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

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

2.718

Distribution Coefficient, logD

2.716

Water Solubility, LogSw

-2.90

Polar Surface Area

76.821

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

L982-0012 in Drug Discovery

Included in Screening Libraries

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 L982-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L982-0012?
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What is the minimum amount of L982-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L982-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L982-0012
  • 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 L982-0012 available by request