SB32-0198 Screening compound: (3S,4S)-3-(methoxymethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl (3-methoxyphenyl) sulfone

SB32-0198 Screening compound: (3S,4S)-3-(methoxymethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl (3-methoxyphenyl) sulfone
SB32-0198 Screening compound: (3S,4S)-3-(methoxymethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl (3-methoxyphenyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB32-0198
(3S,4S)-3-(methoxymethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl (3-methoxyphenyl) 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

SB32-0198

Molecular Formula

C16H22N4O4S (C16 H22 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1n[nH]c([C@@H](C2)[C@@H](COC)CN2S(c2cc(OC)ccc2)(=O)=O)n1

InChI

InChI=1S/C16H22N4O4S/c1-11-17-16(19-18-11)15-9-20(8-12(15)10-23-2)25(21,22)14-6-4-5-13(7-14)24-3/h4-7,12,15H,8-10H2,1-3H3,(H,17,18,19)/t12-,15+/m0/s1

InChI Key

WBXLCAWAGQWZFE-SWLSCSKDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.344

Distribution Coefficient, logD

1.343

Water Solubility, LogSw

-2.55

Polar Surface Area

81.548

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

SB32-0198 in Drug Discovery

Included in Screening Libraries

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 SB32-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB32-0198?
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What is the minimum amount of SB32-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB32-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB32-0198
  • 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 SB32-0198 available by request