SB32-0171 Screening compound: 5-{(3S,4S)-4-(methoxymethyl)-1-[(5-methyl-2-thienyl)methyl]tetrahydro-1H-pyrrol-3-yl}-3-methyl-1H-1,2,4-triazole

SB32-0171 Screening compound: 5-{(3S,4S)-4-(methoxymethyl)-1-[(5-methyl-2-thienyl)methyl]tetrahydro-1H-pyrrol-3-yl}-3-methyl-1H-1,2,4-triazole
SB32-0171 Screening compound: 5-{(3S,4S)-4-(methoxymethyl)-1-[(5-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 SB32-0171
5-{(3S,4S)-4-(methoxymethyl)-1-[(5-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

SB32-0171

Molecular Formula

C15H22N4OS (C15 H22 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CN(C[C@@H]2COC)C[C@@H]2c2nc(C)n[nH]2)s1

InChI

InChI=1S/C15H22N4OS/c1-10-4-5-13(21-10)7-19-6-12(9-20-3)14(8-19)15-16-11(2)17-18-15/h4-5,12,14H,6-9H2,1-3H3,(H,16,17,18)/t12-,14+/m0/s1

InChI Key

MRBRTLRDFQASOG-GXTWGEPZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.43

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

2.066

Distribution Coefficient, logD

-1.290

Water Solubility, LogSw

-2.69

Polar Surface Area

47.044

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

10.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

SB32-0171 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB32-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB32-0171?
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What is the minimum amount of SB32-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB32-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB32-0171
  • 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 SB32-0171 available by request