L982-0486 Screening compound: N-butyl-2-{[(4-ethylphenyl)carbamoyl]methyl}-6,8-dimethyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide

L982-0486 Screening compound: N-butyl-2-{[(4-ethylphenyl)carbamoyl]methyl}-6,8-dimethyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
L982-0486 Screening compound: N-butyl-2-{[(4-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 L982-0486
N-butyl-2-{[(4-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

L982-0486

Molecular Formula

C23H29N5O3 (C23 H29 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCNC(c1c(C)n(C=NN(CC(Nc2ccc(CC)cc2)=O)C2=O)c2c1C)=O

InChI

InChI=1S/C23H29N5O3/c1-5-7-12-24-22(30)20-15(3)21-23(31)28(25-14-27(21)16(20)4)13-19(29)26-18-10-8-17(6-2)9-11-18/h8-11,14H,5-7,12-13H2,1-4H3,(H,24,30)(H,26,29)

InChI Key

GWNSCXSRULHCQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27491152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.961

Distribution Coefficient, logD

2.961

Water Solubility, LogSw

-3.23

Polar Surface Area

77.632

Acid Dissociation Constant (pKa)

11.62

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with L982-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L982-0486?
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What is the minimum amount of L982-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L982-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L982-0486
  • 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 L982-0486 available by request