L806-5695 Screening compound: 1-(4-fluoro-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide

L806-5695 Screening compound: 1-(4-fluoro-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide
L806-5695 Screening compound: 1-(4-fluoro-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L806-5695
1-(4-fluoro-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-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

L806-5695

Molecular Formula

C23H20FN5O2 (C23 H20 FN5 O2)

Compound Name

1-(4-fluoro-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-(4-fluoro-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]-5-(pyridin-3-yl)-1H-123-triazole-4-carboxamide

SMILES

Cc(cc(cc1)-n2nnc(C(NCc(cccc3)c3OC)=O)c2-c2cnccc2)c1F

InChI

InChI=1S/C23H20FN5O2/c1-15-12-18(9-10-19(15)24)29-22(17-7-5-11-25-13-17)21(27-28-29)23(30)26-14-16-6-3-4-8-20(16)31-2/h3-13H,14H2,1-2H3,(H,26,30)

InChI Key

DVSPVBJWONMCCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22590689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.512

Distribution Coefficient, logD

3.512

Water Solubility, LogSw

-3.49

Polar Surface Area

67.401

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

L806-5695 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 L806-5695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L806-5695?
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What is the minimum amount of L806-5695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L806-5695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L806-5695
  • 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 L806-5695 available by request