L982-0106 Screening compound: 2-({[(furan-2-yl)methyl]carbamoyl}methyl)-6,8-dimethyl-N-[(4-methylphenyl)methyl]-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide

L982-0106 Screening compound: 2-({[(furan-2-yl)methyl]carbamoyl}methyl)-6,8-dimethyl-N-[(4-methylphenyl)methyl]-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
L982-0106 Screening compound: 2-({[(furan-2-yl)methyl]carbamoyl}methyl)-6,8-dimethyl-N-[(4-methylphenyl)methyl]-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L982-0106
2-({[(furan-2-yl)methyl]carbamoyl}methyl)-6,8-dimethyl-N-[(4-methylphenyl)methyl]-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

L982-0106

Molecular Formula

C24H25N5O4 (C24 H25 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(N(CC(NCc2ccco2)=O)N=C2)=O)n2c(C)c1C(NCc1ccc(C)cc1)=O

InChI

InChI=1S/C24H25N5O4/c1-15-6-8-18(9-7-15)11-26-23(31)21-16(2)22-24(32)29(27-14-28(22)17(21)3)13-20(30)25-12-19-5-4-10-33-19/h4-10,14H,11-13H2,1-3H3,(H,25,30)(H,26,31)

InChI Key

BFYHCZLICDFIFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27643195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.970

Distribution Coefficient, logD

1.968

Water Solubility, LogSw

-2.43

Polar Surface Area

86.590

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

L982-0106 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L982-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L982-0106?
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What is the minimum amount of L982-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L982-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L982-0106
  • 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 L982-0106 available by request