S829-0974 Screening compound: 4-{4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidine-1-carbonyl}pyridazine

S829-0974 Screening compound: 4-{4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidine-1-carbonyl}pyridazine
S829-0974 Screening compound: 4-{4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidine-1-carbonyl}pyridazine alternative view

Chemical Structure Depiction of ChemDiv screening compound S829-0974
4-{4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidine-1-carbonyl}pyridazine

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

S829-0974

Molecular Formula

C16H22F2N4O2 (C16 H22 F2 N4 O2)

Compound Name

4-{4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidine-1-carbonyl}pyridazine

IUPAC name

4-{4-[(2S)-44-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidine-1-carbonyl}pyridazine

SMILES

COC[C@H](CC(C1)(F)F)N1C(CC1)CCN1C(c1cnncc1)=O

InChI

InChI=1S/C16H22F2N4O2/c1-24-10-14-8-16(17,18)11-22(14)13-3-6-21(7-4-13)15(23)12-2-5-19-20-9-12/h2,5,9,13-14H,3-4,6-8,10-11H2,1H3/t14-/m1/s1

InChI Key

WUWJJXSWJDLVCL-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.234

Distribution Coefficient, logD

0.149

Water Solubility, LogSw

-1.13

Polar Surface Area

51.862

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.75

S829-0974 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S829-0974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S829-0974?
Check Price and Availability of S829-0974, 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 S829-0974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S829-0974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S829-0974
  • 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 S829-0974 available by request