SB34-0052 Screening compound: 5-{(3S,4S)-4-(fluoromethyl)-1-[(3-methyl-2-thienyl)methyl]tetrahydro-1H-pyrrol-3-yl}-3-methyl-1H-1,2,4-triazole

SB34-0052 Screening compound: 5-{(3S,4S)-4-(fluoromethyl)-1-[(3-methyl-2-thienyl)methyl]tetrahydro-1H-pyrrol-3-yl}-3-methyl-1H-1,2,4-triazole
SB34-0052 Screening compound: 5-{(3S,4S)-4-(fluoromethyl)-1-[(3-methyl-2-thienyl)methyl]tetrahydro-1H-pyrrol-3-yl}-3-methyl-1H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SB34-0052
5-{(3S,4S)-4-(fluoromethyl)-1-[(3-methyl-2-thienyl)methyl]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

SB34-0052

Molecular Formula

C14H19FN4S (C14 H19 FN4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CN(C[C@@H]2CF)C[C@@H]2c2nc(C)n[nH]2)scc1

InChI

InChI=1S/C14H19FN4S/c1-9-3-4-20-13(9)8-19-6-11(5-15)12(7-19)14-16-10(2)17-18-14/h3-4,11-12H,5-8H2,1-2H3,(H,16,17,18)/t11-,12-/m1/s1

InChI Key

KZIAMMMZHHIEGC-VXGBXAGGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.4

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

1.882

Distribution Coefficient, logD

0.040

Water Solubility, LogSw

-2.37

Polar Surface Area

38.620

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

9.24

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.14

SB34-0052 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 SB34-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB34-0052?
Check Price and Availability of SB34-0052, 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 SB34-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB34-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB34-0052
  • 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 SB34-0052 available by request