L982-0523 Screening compound: methyl 4-{2-[7-(butylcarbamoyl)-6,8-dimethyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-2-yl]acetamido}benzoate

L982-0523 Screening compound: methyl 4-{2-[7-(butylcarbamoyl)-6,8-dimethyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-2-yl]acetamido}benzoate
L982-0523 Screening compound: methyl 4-{2-[7-(butylcarbamoyl)-6,8-dimethyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-2-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L982-0523
methyl 4-{2-[7-(butylcarbamoyl)-6,8-dimethyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-2-yl]acetamido}benzoate

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

L982-0523

Molecular Formula

C23H27N5O5 (C23 H27 N5 O5)

Compound Name

methyl 4-{2-[7-(butylcarbamoyl)-6,8-dimethyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-2-yl]acetamido}benzoate

IUPAC name

methyl 4-{2-[7-(butylcarbamoyl)-68-dimethyl-1-oxo-1H2H-pyrrolo[12-d][124]triazin-2-yl]acetamido}benzoate

SMILES

CCCCNC(c1c(C)n(C=NN(CC(Nc(cc2)ccc2C(OC)=O)=O)C2=O)c2c1C)=O

InChI

InChI=1S/C23H27N5O5/c1-5-6-11-24-21(30)19-14(2)20-22(31)28(25-13-27(20)15(19)3)12-18(29)26-17-9-7-16(8-10-17)23(32)33-4/h7-10,13H,5-6,11-12H2,1-4H3,(H,24,30)(H,26,29)

InChI Key

DUWTYNICWFCJLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27491154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.121

Distribution Coefficient, logD

2.121

Water Solubility, LogSw

-2.80

Polar Surface Area

98.806

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with L982-0523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L982-0523?
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What is the minimum amount of L982-0523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L982-0523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L982-0523
  • 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 L982-0523 available by request