S830-2940 Screening compound: 2-{3-[(benzyloxy)methyl]-4,4-difluoropiperidine-1-carbonyl}pyridine

S830-2940 Screening compound: 2-{3-[(benzyloxy)methyl]-4,4-difluoropiperidine-1-carbonyl}pyridine
S830-2940 Screening compound: 2-{3-[(benzyloxy)methyl]-4,4-difluoropiperidine-1-carbonyl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S830-2940
2-{3-[(benzyloxy)methyl]-4,4-difluoropiperidine-1-carbonyl}pyridine

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

S830-2940

Molecular Formula

C19H20F2N2O2 (C19 H20 F2 N2 O2)

Compound Name

2-{3-[(benzyloxy)methyl]-4,4-difluoropiperidine-1-carbonyl}pyridine

IUPAC name

2-{3-[(benzyloxy)methyl]-44-difluoropiperidine-1-carbonyl}pyridine

SMILES

O=C(c1ncccc1)N(CC1)CC(COCc2ccccc2)C1(F)F

InChI

InChI=1S/C19H20F2N2O2/c20-19(21)9-11-23(18(24)17-8-4-5-10-22-17)12-16(19)14-25-13-15-6-2-1-3-7-15/h1-8,10,16H,9,11-14H2/t16-/m1/s1

InChI Key

YNNCOCDIXIJVQG-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD30466107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.013

Distribution Coefficient, logD

3.013

Water Solubility, LogSw

-3.00

Polar Surface Area

34.031

Acid Dissociation Constant (pKa)

25.30

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.84

S830-2940 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S830-2940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S830-2940?
Check Price and Availability of S830-2940, 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 S830-2940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S830-2940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S830-2940
  • 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 S830-2940 available by request