SB32-1012 Screening compound: (3S,4S)-3-(methoxymethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl (2-thienyl) sulfone

SB32-1012 Screening compound: (3S,4S)-3-(methoxymethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl (2-thienyl) sulfone
SB32-1012 Screening compound: (3S,4S)-3-(methoxymethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl (2-thienyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB32-1012
(3S,4S)-3-(methoxymethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl (2-thienyl) sulfone

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

SB32-1012

Molecular Formula

C13H18N4O3S2 (C13 H18 N4 O3 S2)

Compound Name

(3S,4S)-3-(methoxymethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl (2-thienyl) sulfone

IUPAC name

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

SMILES

Cc1n[nH]c([C@@H](C2)[C@@H](COC)CN2S(c2cccs2)(=O)=O)n1

InChI

InChI=1S/C13H18N4O3S2/c1-9-14-13(16-15-9)11-7-17(6-10(11)8-20-2)22(18,19)12-4-3-5-21-12/h3-5,10-11H,6-8H2,1-2H3,(H,14,15,16)/t10-,11+/m0/s1

InChI Key

LSPBTFWFMUTXRE-WDEREUQCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.970

Distribution Coefficient, logD

0.970

Water Solubility, LogSw

-2.42

Polar Surface Area

75.022

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.85

SB32-1012 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB32-1012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB32-1012?
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What is the minimum amount of SB32-1012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB32-1012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB32-1012
  • 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 SB32-1012 available by request