L982-0213 Screening compound: N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxo-2-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide

L982-0213 Screening compound: N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxo-2-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
L982-0213 Screening compound: N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxo-2-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L982-0213
N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxo-2-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-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

L982-0213

Molecular Formula

C27H28FN5O3 (C27 H28 FN5 O3)

Compound Name

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

IUPAC name

N-[(4-fluorophenyl)methyl]-68-dimethyl-1-oxo-2-{[(246-trimethylphenyl)carbamoyl]methyl}-1H2H-pyrrolo[12-d][124]triazine-7-carboxamide

SMILES

Cc1c(C(N(CC(Nc2c(C)cc(C)cc2C)=O)N=C2)=O)n2c(C)c1C(NCc(cc1)ccc1F)=O

InChI

InChI=1S/C27H28FN5O3/c1-15-10-16(2)24(17(3)11-15)31-22(34)13-33-27(36)25-18(4)23(19(5)32(25)14-30-33)26(35)29-12-20-6-8-21(28)9-7-20/h6-11,14H,12-13H2,1-5H3,(H,29,35)(H,31,34)

InChI Key

DOXZXSOQJINLOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27491139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.760

Distribution Coefficient, logD

2.755

Water Solubility, LogSw

-2.79

Polar Surface Area

76.123

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

L982-0213 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 L982-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L982-0213?
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What is the minimum amount of L982-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L982-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L982-0213
  • 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 L982-0213 available by request