S829-0891 Screening compound: N-(2-{4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidin-1-yl}-2-oxoethyl)acetamide

S829-0891 Screening compound: N-(2-{4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidin-1-yl}-2-oxoethyl)acetamide
S829-0891 Screening compound: N-(2-{4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidin-1-yl}-2-oxoethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S829-0891
N-(2-{4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidin-1-yl}-2-oxoethyl)acetamide

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

S829-0891

Molecular Formula

C15H25F2N3O3 (C15 H25 F2 N3 O3)

Compound Name

N-(2-{4-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidin-1-yl}-2-oxoethyl)acetamide

IUPAC name

N-(2-{4-[(2S)-44-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]piperidin-1-yl}-2-oxoethyl)acetamide

SMILES

CC(NCC(N(CC1)CCC1N(C1)[C@H](COC)CC1(F)F)=O)=O

InChI

InChI=1S/C15H25F2N3O3/c1-11(21)18-8-14(22)19-5-3-12(4-6-19)20-10-15(16,17)7-13(20)9-23-2/h12-13H,3-10H2,1-2H3,(H,18,21)/t13-/m1/s1

InChI Key

AGALUAHBWCDDLL-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.047

Distribution Coefficient, logD

-0.155

Water Solubility, LogSw

-0.88

Polar Surface Area

52.678

Acid Dissociation Constant (pKa)

13.55

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

86.67

S829-0891 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 S829-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S829-0891?
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What is the minimum amount of S829-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S829-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S829-0891
  • 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 S829-0891 available by request