S830-2898 Screening compound: 2-[4,4-difluoro-3-(methoxymethyl)piperidine-1-carbonyl]-1H-indole

S830-2898 Screening compound: 2-[4,4-difluoro-3-(methoxymethyl)piperidine-1-carbonyl]-1H-indole
S830-2898 Screening compound: 2-[4,4-difluoro-3-(methoxymethyl)piperidine-1-carbonyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S830-2898
2-[4,4-difluoro-3-(methoxymethyl)piperidine-1-carbonyl]-1H-indole

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

S830-2898

Molecular Formula

C16H18F2N2O2 (C16 H18 F2 N2 O2)

Compound Name

2-[4,4-difluoro-3-(methoxymethyl)piperidine-1-carbonyl]-1H-indole

IUPAC name

2-[44-difluoro-3-(methoxymethyl)piperidine-1-carbonyl]-1H-indole

SMILES

COCC(CN(CC1)C(c2cc(cccc3)c3[nH]2)=O)C1(F)F

InChI

InChI=1S/C16H18F2N2O2/c1-22-10-12-9-20(7-6-16(12,17)18)15(21)14-8-11-4-2-3-5-13(11)19-14/h2-5,8,12,19H,6-7,9-10H2,1H3/t12-/m1/s1

InChI Key

JFEKDMUNOOMPHM-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD30468344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.198

Distribution Coefficient, logD

3.198

Water Solubility, LogSw

-3.47

Polar Surface Area

34.593

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

S830-2898 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with S830-2898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S830-2898?
Check Price and Availability of S830-2898, 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 S830-2898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S830-2898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S830-2898
  • 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 S830-2898 available by request