L982-0210 Screening compound: N-[(4-fluorophenyl)methyl]-2-{[(3-methoxyphenyl)carbamoyl]methyl}-6,8-dimethyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide

L982-0210 Screening compound: N-[(4-fluorophenyl)methyl]-2-{[(3-methoxyphenyl)carbamoyl]methyl}-6,8-dimethyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
L982-0210 Screening compound: N-[(4-fluorophenyl)methyl]-2-{[(3-methoxyphenyl)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 L982-0210
N-[(4-fluorophenyl)methyl]-2-{[(3-methoxyphenyl)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

L982-0210

Molecular Formula

C25H24FN5O4 (C25 H24 FN5 O4)

Compound Name

N-[(4-fluorophenyl)methyl]-2-{[(3-methoxyphenyl)carbamoyl]methyl}-6,8-dimethyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide

IUPAC name

N-[(4-fluorophenyl)methyl]-2-{[(3-methoxyphenyl)carbamoyl]methyl}-68-dimethyl-1-oxo-1H2H-pyrrolo[12-d][124]triazine-7-carboxamide

SMILES

Cc1c(C(N(CC(Nc2cc(OC)ccc2)=O)N=C2)=O)n2c(C)c1C(NCc(cc1)ccc1F)=O

InChI

InChI=1S/C25H24FN5O4/c1-15-22(24(33)27-12-17-7-9-18(26)10-8-17)16(2)30-14-28-31(25(34)23(15)30)13-21(32)29-19-5-4-6-20(11-19)35-3/h4-11,14H,12-13H2,1-3H3,(H,27,33)(H,29,32)

InChI Key

QAHGMRJHWAEOLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27491138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.5

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

2.314

Distribution Coefficient, logD

2.309

Water Solubility, LogSw

-2.95

Polar Surface Area

85.063

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

L982-0210 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 L982-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L982-0210?
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What is the minimum amount of L982-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L982-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L982-0210
  • 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 L982-0210 available by request