S830-2398 Screening compound: 1-(5-bromofuran-2-carbonyl)-4,4-difluoro-3-(methoxymethyl)piperidine

S830-2398 Screening compound: 1-(5-bromofuran-2-carbonyl)-4,4-difluoro-3-(methoxymethyl)piperidine
S830-2398 Screening compound: 1-(5-bromofuran-2-carbonyl)-4,4-difluoro-3-(methoxymethyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S830-2398
1-(5-bromofuran-2-carbonyl)-4,4-difluoro-3-(methoxymethyl)piperidine

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

S830-2398

Molecular Formula

C12H14BrF2NO3 (C12 H14 BrF2 NO3)

Compound Name

1-(5-bromofuran-2-carbonyl)-4,4-difluoro-3-(methoxymethyl)piperidine

IUPAC name

1-(5-bromofuran-2-carbonyl)-44-difluoro-3-(methoxymethyl)piperidine

SMILES

COCC(CN(CC1)C(c(o2)ccc2Br)=O)C1(F)F

InChI

InChI=1S/C12H14BrF2NO3/c1-18-7-8-6-16(5-4-12(8,14)15)11(17)9-2-3-10(13)19-9/h2-3,8H,4-7H2,1H3/t8-/m1/s1

InChI Key

NETAWZLKBGBEEM-MRVPVSSYSA-N

MDL Number (MFCD)

MFCD30468302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.15

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.476

Distribution Coefficient, logD

2.476

Water Solubility, LogSw

-2.32

Polar Surface Area

34.170

Acid Dissociation Constant (pKa)

25.30

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.33

S830-2398 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S830-2398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S830-2398?
Check Price and Availability of S830-2398, 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 S830-2398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S830-2398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S830-2398
  • 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 S830-2398 available by request