S829-1027 Screening compound: {4-[(2S)-4,4-difluoro-2-(methoxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}(1H-pyrazol-4-yl)methanone

S829-1027 Screening compound: {4-[(2S)-4,4-difluoro-2-(methoxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}(1H-pyrazol-4-yl)methanone
S829-1027 Screening compound: {4-[(2S)-4,4-difluoro-2-(methoxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}(1H-pyrazol-4-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S829-1027
{4-[(2S)-4,4-difluoro-2-(methoxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}(1H-pyrazol-4-yl)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

S829-1027

Molecular Formula

C15H22F2N4O2 (C15 H22 F2 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

COC[C@H](CC(C1)(F)F)N1C(CC1)CCN1C(c1c[nH]nc1)=O

InChI

InChI=1S/C15H22F2N4O2/c1-23-9-13-6-15(16,17)10-21(13)12-2-4-20(5-3-12)14(22)11-7-18-19-8-11/h7-8,12-13H,2-6,9-10H2,1H3,(H,18,19)/t13-/m1/s1

InChI Key

QHRKCJNFOIJTRA-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

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.047

Distribution Coefficient, logD

0.963

Water Solubility, LogSw

-1.46

Polar Surface Area

52.970

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.33

S829-1027 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Soluble Diversity Library (15920 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S829-1027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S829-1027?
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What is the minimum amount of S829-1027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S829-1027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S829-1027
  • 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 S829-1027 available by request