L982-0051 Screening compound: N-benzyl-6,8-dimethyl-1-oxo-2-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide

L982-0051 Screening compound: N-benzyl-6,8-dimethyl-1-oxo-2-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
L982-0051 Screening compound: N-benzyl-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 L982-0051
N-benzyl-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

L982-0051

Molecular Formula

C27H29N5O3 (C27 H29 N5 O3)

Compound Name

N-benzyl-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-benzyl-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(NCc1ccccc1)=O

InChI

InChI=1S/C27H29N5O3/c1-16-11-17(2)24(18(3)12-16)30-22(33)14-32-27(35)25-19(4)23(20(5)31(25)15-29-32)26(34)28-13-21-9-7-6-8-10-21/h6-12,15H,13-14H2,1-5H3,(H,28,34)(H,30,33)

InChI Key

OVCGNBCXPGNTPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27491105

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

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.731

Distribution Coefficient, logD

2.729

Water Solubility, LogSw

-2.92

Polar Surface Area

76.123

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with L982-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L982-0051?
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What is the minimum amount of L982-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L982-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L982-0051
  • 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 L982-0051 available by request