L982-0199 Screening compound: 2-{[(4-chlorophenyl)carbamoyl]methyl}-N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide

L982-0199 Screening compound: 2-{[(4-chlorophenyl)carbamoyl]methyl}-N-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxamide
L982-0199 Screening compound: 2-{[(4-chlorophenyl)carbamoyl]methyl}-N-[(4-fluorophenyl)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 L982-0199
2-{[(4-chlorophenyl)carbamoyl]methyl}-N-[(4-fluorophenyl)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

L982-0199

Molecular Formula

C24H21ClFN5O3 (C24 H21 ClFN5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(N(CC(Nc(cc2)ccc2Cl)=O)N=C2)=O)n2c(C)c1C(NCc(cc1)ccc1F)=O

InChI

InChI=1S/C24H21ClFN5O3/c1-14-21(23(33)27-11-16-3-7-18(26)8-4-16)15(2)30-13-28-31(24(34)22(14)30)12-20(32)29-19-9-5-17(25)6-10-19/h3-10,13H,11-12H2,1-2H3,(H,27,33)(H,29,32)

InChI Key

YJRGMSUQTYUTCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27491134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.91

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

2.842

Distribution Coefficient, logD

2.837

Water Solubility, LogSw

-3.83

Polar Surface Area

77.519

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with L982-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L982-0199?
Check Price and Availability of L982-0199, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L982-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L982-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L982-0199
  • 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 L982-0199 available by request