SB34-0431 Screening compound: 4-[(3S,4S)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]-1-methylpiperidine

SB34-0431 Screening compound: 4-[(3S,4S)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]-1-methylpiperidine
SB34-0431 Screening compound: 4-[(3S,4S)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]-1-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound SB34-0431
4-[(3S,4S)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]-1-methylpiperidine

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

SB34-0431

Molecular Formula

C19H26FN5 (C19 H26 FN5)

Compound Name

4-[(3S,4S)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]-1-methylpiperidine

IUPAC name

4-[(3S4S)-3-(fluoromethyl)-4-(3-phenyl-1H-124-triazol-5-yl)pyrrolidin-1-yl]-1-methylpiperidine

SMILES

CN(CC1)CCC1N(C[C@@H]1CF)C[C@@H]1c1nc(-c2ccccc2)n[nH]1

InChI

InChI=1S/C19H26FN5/c1-24-9-7-16(8-10-24)25-12-15(11-20)17(13-25)19-21-18(22-23-19)14-5-3-2-4-6-14/h2-6,15-17H,7-13H2,1H3,(H,21,22,23)/t15-,17-/m0/s1

InChI Key

YZLASTCJKOXEFX-RDJZCZTQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.45

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

2.114

Distribution Coefficient, logD

-0.144

Water Solubility, LogSw

-2.32

Polar Surface Area

40.747

Acid Dissociation Constant (pKa)

7.73

Base Dissociation Constant (pKb)

9.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.90

SB34-0431 in Drug Discovery

Included in Screening Libraries

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 SB34-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB34-0431?
Check Price and Availability of SB34-0431, 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 SB34-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB34-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB34-0431
  • 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 SB34-0431 available by request