SB34-0439 Screening compound: 5-{[(3S,4S)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methyl}-4-methyl-1,3-thiazole

SB34-0439 Screening compound: 5-{[(3S,4S)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methyl}-4-methyl-1,3-thiazole
SB34-0439 Screening compound: 5-{[(3S,4S)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methyl}-4-methyl-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SB34-0439
5-{[(3S,4S)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methyl}-4-methyl-1,3-thiazole

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

SB34-0439

Molecular Formula

C18H20FN5S (C18 H20 FN5 S)

Compound Name

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

IUPAC name

5-[(3S4S)-4-(fluoromethyl)-1-[(4-methyl-13-thiazol-5-yl)methyl]pyrrolidin-3-yl]-3-phenyl-1H-124-triazole

SMILES

Cc1c(CN(C[C@@H]2CF)C[C@@H]2c2nc(-c3ccccc3)n[nH]2)scn1

InChI

InChI=1S/C18H20FN5S/c1-12-16(25-11-20-12)10-24-8-14(7-19)15(9-24)18-21-17(22-23-18)13-5-3-2-4-6-13/h2-6,11,14-15H,7-10H2,1H3,(H,21,22,23)/t14-,15-/m1/s1

InChI Key

WZOKMODFAQUBNK-HUUCEWRRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.45

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

2.771

Distribution Coefficient, logD

1.084

Water Solubility, LogSw

-3.05

Polar Surface Area

47.922

Acid Dissociation Constant (pKa)

6.92

Base Dissociation Constant (pKb)

9.08

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.89

References: we are preparing a list of scientific research reports with SB34-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB34-0439?
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What is the minimum amount of SB34-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB34-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB34-0439
  • 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 SB34-0439 available by request