S829-0967 Screening compound: {4-[(2S)-4,4-difluoro-2-(methoxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}(2-furyl)methanone

S829-0967 Screening compound: {4-[(2S)-4,4-difluoro-2-(methoxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}(2-furyl)methanone
S829-0967 Screening compound: {4-[(2S)-4,4-difluoro-2-(methoxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}(2-furyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S829-0967
{4-[(2S)-4,4-difluoro-2-(methoxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}(2-furyl)methanone

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

S829-0967

Molecular Formula

C16H22F2N2O3 (C16 H22 F2 N2 O3)

Compound Name

{4-[(2S)-4,4-difluoro-2-(methoxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}(2-furyl)methanone

IUPAC name

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

SMILES

COC[C@H](CC(C1)(F)F)N1C(CC1)CCN1C(c1ccco1)=O

InChI

InChI=1S/C16H22F2N2O3/c1-22-10-13-9-16(17,18)11-20(13)12-4-6-19(7-5-12)15(21)14-3-2-8-23-14/h2-3,8,12-13H,4-7,9-11H2,1H3/t13-/m1/s1

InChI Key

NZCFUSOTGGEQBW-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.933

Distribution Coefficient, logD

1.848

Water Solubility, LogSw

-2.26

Polar Surface Area

36.928

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.75

S829-0967 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S829-0967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S829-0967?
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What is the minimum amount of S829-0967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S829-0967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S829-0967
  • 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 S829-0967 available by request