S829-2306 Screening compound: ((2S)-1-{1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-piperidyl}-4,4-difluorotetrahydro-1H-pyrrol-2-yl)methanol

S829-2306 Screening compound: ((2S)-1-{1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-piperidyl}-4,4-difluorotetrahydro-1H-pyrrol-2-yl)methanol
S829-2306 Screening compound: ((2S)-1-{1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-piperidyl}-4,4-difluorotetrahydro-1H-pyrrol-2-yl)methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S829-2306
((2S)-1-{1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-piperidyl}-4,4-difluorotetrahydro-1H-pyrrol-2-yl)methanol

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

S829-2306

Molecular Formula

C16H26F2N4O (C16 H26 F2 N4 O)

Compound Name

((2S)-1-{1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-piperidyl}-4,4-difluorotetrahydro-1H-pyrrol-2-yl)methanol

IUPAC name

[(2S)-1-{1-[(13-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}-44-difluoropyrrolidin-2-yl]methanol

SMILES

Cc1nn(C)cc1CN(CC1)CCC1N(C1)[C@H](CO)CC1(F)F

InChI

InChI=1S/C16H26F2N4O/c1-12-13(8-20(2)19-12)9-21-5-3-14(4-6-21)22-11-16(17,18)7-15(22)10-23/h8,14-15,23H,3-7,9-11H2,1-2H3/t15-/m1/s1

InChI Key

RTTZCZZNKNVEGR-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.948

Distribution Coefficient, logD

-3.427

Water Solubility, LogSw

-0.55

Polar Surface Area

39.287

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

11.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

81.25

S829-2306 in Drug Discovery

Included in Screening Libraries

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 S829-2306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S829-2306?
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What is the minimum amount of S829-2306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S829-2306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S829-2306
  • 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 S829-2306 available by request