L861-0106 Screening compound: N-(4-methoxyphenyl)-3-oxo-2-({[4-(trifluoromethyl)phenyl]carbamoyl}methyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

L861-0106 Screening compound: N-(4-methoxyphenyl)-3-oxo-2-({[4-(trifluoromethyl)phenyl]carbamoyl}methyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
L861-0106 Screening compound: N-(4-methoxyphenyl)-3-oxo-2-({[4-(trifluoromethyl)phenyl]carbamoyl}methyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L861-0106
N-(4-methoxyphenyl)-3-oxo-2-({[4-(trifluoromethyl)phenyl]carbamoyl}methyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-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

L861-0106

Molecular Formula

C23H18F3N5O4 (C23 H18 F3 N5 O4)

Compound Name

N-(4-methoxyphenyl)-3-oxo-2-({[4-(trifluoromethyl)phenyl]carbamoyl}methyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

IUPAC name

N-(4-methoxyphenyl)-3-oxo-2-({[4-(trifluoromethyl)phenyl]carbamoyl}methyl)-2H3H-[124]triazolo[43-a]pyridine-6-carboxamide

SMILES

COc(cc1)ccc1NC(C(C=CC1=NN2CC(Nc3ccc(C(F)(F)F)cc3)=O)=CN1C2=O)=O

InChI

InChI=1S/C23H18F3N5O4/c1-35-18-9-7-17(8-10-18)28-21(33)14-2-11-19-29-31(22(34)30(19)12-14)13-20(32)27-16-5-3-15(4-6-16)23(24,25)26/h2-12H,13H2,1H3,(H,27,32)(H,28,33)

InChI Key

SALLAKZECMTEFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16640551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.42

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

3.501

Distribution Coefficient, logD

3.496

Water Solubility, LogSw

-3.67

Polar Surface Area

86.584

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

L861-0106 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L861-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L861-0106?
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What is the minimum amount of L861-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L861-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L861-0106
  • 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 L861-0106 available by request