8017-5668 Screening compound: 2-(4-fluoroanilino)-4-(methoxymethyl)-6-methyl-3-pyridyl cyanide

8017-5668 Screening compound: 2-(4-fluoroanilino)-4-(methoxymethyl)-6-methyl-3-pyridyl cyanide
8017-5668 Screening compound: 2-(4-fluoroanilino)-4-(methoxymethyl)-6-methyl-3-pyridyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5668
2-(4-fluoroanilino)-4-(methoxymethyl)-6-methyl-3-pyridyl cyanide

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

8017-5668

Molecular Formula

C15H14FN3O (C15 H14 FN3 O)

Compound Name

2-(4-fluoroanilino)-4-(methoxymethyl)-6-methyl-3-pyridyl cyanide

IUPAC name

2-[(4-fluorophenyl)amino]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

SMILES

Cc(nc1Nc(cc2)ccc2F)cc(COC)c1C#N

InChI

InChI=1S/C15H14FN3O/c1-10-7-11(9-20-2)14(8-17)15(18-10)19-13-5-3-12(16)4-6-13/h3-7H,9H2,1-2H3,(H,18,19)

InChI Key

LRHBSJZNGMNBAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.864

Distribution Coefficient, logD

2.864

Water Solubility, LogSw

-3.25

Polar Surface Area

43.693

Acid Dissociation Constant (pKa)

15.56

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8017-5668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5668?
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What is the minimum amount of 8017-5668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5668
  • 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 8017-5668 available by request