L986-0579 Screening compound: 4-{4-methyl-3-oxo-3H,4H-pyrido[2,3-b]pyrazin-2-yl}-N-[4-(trifluoromethoxy)phenyl]benzamide

L986-0579 Screening compound: 4-{4-methyl-3-oxo-3H,4H-pyrido[2,3-b]pyrazin-2-yl}-N-[4-(trifluoromethoxy)phenyl]benzamide
L986-0579 Screening compound: 4-{4-methyl-3-oxo-3H,4H-pyrido[2,3-b]pyrazin-2-yl}-N-[4-(trifluoromethoxy)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L986-0579
4-{4-methyl-3-oxo-3H,4H-pyrido[2,3-b]pyrazin-2-yl}-N-[4-(trifluoromethoxy)phenyl]benzamide

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

L986-0579

Molecular Formula

C22H15F3N4O3 (C22 H15 F3 N4 O3)

Compound Name

4-{4-methyl-3-oxo-3H,4H-pyrido[2,3-b]pyrazin-2-yl}-N-[4-(trifluoromethoxy)phenyl]benzamide

IUPAC name

4-{4-methyl-3-oxo-3H4H-pyrido[23-b]pyrazin-2-yl}-N-[4-(trifluoromethoxy)phenyl]benzamide

SMILES

CN(c(nccc1)c1N=C1c(cc2)ccc2C(Nc(cc2)ccc2OC(F)(F)F)=O)C1=O

InChI

InChI=1S/C22H15F3N4O3/c1-29-19-17(3-2-12-26-19)28-18(21(29)31)13-4-6-14(7-5-13)20(30)27-15-8-10-16(11-9-15)32-22(23,24)25/h2-12H,1H3,(H,27,30)

InChI Key

NYBQDWVYTCMUTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15138150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.796

Distribution Coefficient, logD

3.796

Water Solubility, LogSw

-4.06

Polar Surface Area

62.574

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

L986-0579 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with L986-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L986-0579?
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What is the minimum amount of L986-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L986-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L986-0579
  • 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 L986-0579 available by request