S830-1801 Screening compound: [4,4-difluoro-1-(2-methoxybenzoyl)piperidin-3-yl]methanol

S830-1801 Screening compound: [4,4-difluoro-1-(2-methoxybenzoyl)piperidin-3-yl]methanol
S830-1801 Screening compound: [4,4-difluoro-1-(2-methoxybenzoyl)piperidin-3-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S830-1801
[4,4-difluoro-1-(2-methoxybenzoyl)piperidin-3-yl]methanol

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

S830-1801

Molecular Formula

C14H17F2NO3 (C14 H17 F2 NO3)

Compound Name

[4,4-difluoro-1-(2-methoxybenzoyl)piperidin-3-yl]methanol

IUPAC name

[44-difluoro-1-(2-methoxybenzoyl)piperidin-3-yl]methanol

SMILES

COc(cccc1)c1C(N(CC1)CC(CO)C1(F)F)=O

InChI

InChI=1S/C14H17F2NO3/c1-20-12-5-3-2-4-11(12)13(19)17-7-6-14(15,16)10(8-17)9-18/h2-5,10,18H,6-9H2,1H3/t10-/m1/s1

InChI Key

HXKPAFFZCWUJBJ-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD30465303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.545

Distribution Coefficient, logD

1.545

Water Solubility, LogSw

-2.07

Polar Surface Area

41.566

Acid Dissociation Constant (pKa)

16.08

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with S830-1801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S830-1801?
Check Price and Availability of S830-1801, 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 S830-1801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S830-1801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S830-1801
  • 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 S830-1801 available by request