SB32-0706 Screening compound: (3S,4S)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(methoxymethyl)tetrahydro-1H-pyrrol-1-yl methyl sulfone

SB32-0706 Screening compound: (3S,4S)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(methoxymethyl)tetrahydro-1H-pyrrol-1-yl methyl sulfone
SB32-0706 Screening compound: (3S,4S)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(methoxymethyl)tetrahydro-1H-pyrrol-1-yl methyl sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB32-0706
(3S,4S)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(methoxymethyl)tetrahydro-1H-pyrrol-1-yl methyl 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

SB32-0706

Molecular Formula

C12H20N4O3S (C12 H20 N4 O3 S)

Compound Name

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

IUPAC name

3-cyclopropyl-5-[(3S4S)-1-methanesulfonyl-4-(methoxymethyl)pyrrolidin-3-yl]-1H-124-triazole

SMILES

COC[C@@H](CN(C1)S(C)(=O)=O)[C@H]1c1nc(C2CC2)n[nH]1

InChI

InChI=1S/C12H20N4O3S/c1-19-7-9-5-16(20(2,17)18)6-10(9)12-13-11(14-15-12)8-3-4-8/h8-10H,3-7H2,1-2H3,(H,13,14,15)/t9-,10+/m0/s1

InChI Key

WBPLYEXKECLGPX-VHSXEESVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.38

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

0.668

Distribution Coefficient, logD

0.666

Water Solubility, LogSw

-1.95

Polar Surface Area

74.407

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

83.33

SB32-0706 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 SB32-0706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB32-0706?
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What is the minimum amount of SB32-0706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB32-0706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB32-0706
  • 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 SB32-0706 available by request