L982-0047 Screening compound: N-benzyl-2-{[(2,5-dimethoxyphenyl)carbamoyl]methyl}-6,8-dimethyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide

L982-0047 Screening compound: N-benzyl-2-{[(2,5-dimethoxyphenyl)carbamoyl]methyl}-6,8-dimethyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
L982-0047 Screening compound: N-benzyl-2-{[(2,5-dimethoxyphenyl)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 L982-0047
N-benzyl-2-{[(2,5-dimethoxyphenyl)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

L982-0047

Molecular Formula

C26H27N5O5 (C26 H27 N5 O5)

Compound Name

N-benzyl-2-{[(2,5-dimethoxyphenyl)carbamoyl]methyl}-6,8-dimethyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide

IUPAC name

N-benzyl-2-{[(25-dimethoxyphenyl)carbamoyl]methyl}-68-dimethyl-1-oxo-1H2H-pyrrolo[12-d][124]triazine-7-carboxamide

SMILES

Cc1c(C(N(CC(Nc(cc(cc2)OC)c2OC)=O)N=C2)=O)n2c(C)c1C(NCc1ccccc1)=O

InChI

InChI=1S/C26H27N5O5/c1-16-23(25(33)27-13-18-8-6-5-7-9-18)17(2)30-15-28-31(26(34)24(16)30)14-22(32)29-20-12-19(35-3)10-11-21(20)36-4/h5-12,15H,13-14H2,1-4H3,(H,27,33)(H,29,32)

InChI Key

CFVYZAZNZUPRJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27491102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.902

Distribution Coefficient, logD

1.900

Water Solubility, LogSw

-2.75

Polar Surface Area

91.996

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

L982-0047 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 L982-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L982-0047?
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What is the minimum amount of L982-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L982-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L982-0047
  • 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 L982-0047 available by request