SB34-0092 Screening compound: 5-[(3S,4S)-4-(fluoromethyl)-1-(2-thienylmethyl)tetrahydro-1H-pyrrol-3-yl]-3-methyl-1H-1,2,4-triazole

SB34-0092 Screening compound: 5-[(3S,4S)-4-(fluoromethyl)-1-(2-thienylmethyl)tetrahydro-1H-pyrrol-3-yl]-3-methyl-1H-1,2,4-triazole
SB34-0092 Screening compound: 5-[(3S,4S)-4-(fluoromethyl)-1-(2-thienylmethyl)tetrahydro-1H-pyrrol-3-yl]-3-methyl-1H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SB34-0092
5-[(3S,4S)-4-(fluoromethyl)-1-(2-thienylmethyl)tetrahydro-1H-pyrrol-3-yl]-3-methyl-1H-1,2,4-triazole

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

SB34-0092

Molecular Formula

C13H17FN4S (C13 H17 FN4 S)

Compound Name

5-[(3S,4S)-4-(fluoromethyl)-1-(2-thienylmethyl)tetrahydro-1H-pyrrol-3-yl]-3-methyl-1H-1,2,4-triazole

IUPAC name

5-[(3S4S)-4-(fluoromethyl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl]-3-methyl-1H-124-triazole

SMILES

Cc1n[nH]c([C@@H]2[C@@H](CF)CN(Cc3cccs3)C2)n1

InChI

InChI=1S/C13H17FN4S/c1-9-15-13(17-16-9)12-8-18(6-10(12)5-14)7-11-3-2-4-19-11/h2-4,10,12H,5-8H2,1H3,(H,15,16,17)/t10-,12-/m1/s1

InChI Key

OZEIQLUXJBRZTR-ZYHUDNBSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.425

Distribution Coefficient, logD

-0.631

Water Solubility, LogSw

-2.04

Polar Surface Area

38.620

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

9.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.85

SB34-0092 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with SB34-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB34-0092?
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What is the minimum amount of SB34-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB34-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB34-0092
  • 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 SB34-0092 available by request