S878-0004 Screening compound: 1-[(4,4-difluoropyrrolidin-2-yl)methyl]azepane

S878-0004 Screening compound: 1-[(4,4-difluoropyrrolidin-2-yl)methyl]azepane
S878-0004 Screening compound: 1-[(4,4-difluoropyrrolidin-2-yl)methyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound S878-0004
1-[(4,4-difluoropyrrolidin-2-yl)methyl]azepane

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

S878-0004

Molecular Formula

C11H20F2N2 (C11 H20 F2 N2)

Compound Name

1-[(4,4-difluoropyrrolidin-2-yl)methyl]azepane

IUPAC name

1-{[(2S)-44-difluoropyrrolidin-2-yl]methyl}azepane

SMILES

FC1(CN[C@H](CN2CCCCCC2)C1)F

InChI

InChI=1S/C11H20F2N2/c12-11(13)7-10(14-9-11)8-15-5-3-1-2-4-6-15/h10,14H,1-9H2/t10-/m1/s1

InChI Key

LQYCGQJXYNPXKD-SNVBAGLBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.29

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

1.735

Distribution Coefficient, logD

1.657

Water Solubility, LogSw

-1.97

Polar Surface Area

17.009

Acid Dissociation Constant (pKa)

24.05

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

100.00

References: we are preparing a list of scientific research reports with S878-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S878-0004?
Check Price and Availability of S878-0004, 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 S878-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S878-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S878-0004
  • 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 S878-0004 available by request