SB34-0419 Screening compound: 4-{[(3S,4S)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methyl}pyridine

SB34-0419 Screening compound: 4-{[(3S,4S)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methyl}pyridine
SB34-0419 Screening compound: 4-{[(3S,4S)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methyl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound SB34-0419
4-{[(3S,4S)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methyl}pyridine

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

SB34-0419

Molecular Formula

C19H20FN5 (C19 H20 FN5)

Compound Name

4-{[(3S,4S)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methyl}pyridine

IUPAC name

4-{[(3S4S)-3-(fluoromethyl)-4-(3-phenyl-1H-124-triazol-5-yl)pyrrolidin-1-yl]methyl}pyridine

SMILES

FC[C@@H](CN(Cc1ccncc1)C1)[C@H]1c1nc(-c2ccccc2)n[nH]1

InChI

InChI=1S/C19H20FN5/c20-10-16-12-25(11-14-6-8-21-9-7-14)13-17(16)19-22-18(23-24-19)15-4-2-1-3-5-15/h1-9,16-17H,10-13H2,(H,22,23,24)/t16-,17-/m0/s1

InChI Key

NZLYMBDWUTXJBL-IRXDYDNUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.106

Distribution Coefficient, logD

1.385

Water Solubility, LogSw

-2.25

Polar Surface Area

47.145

Acid Dissociation Constant (pKa)

6.92

Base Dissociation Constant (pKb)

8.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.58

SB34-0419 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 SB34-0419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB34-0419?
Check Price and Availability of SB34-0419, 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 SB34-0419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB34-0419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB34-0419
  • 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 SB34-0419 available by request