SB32-0913 Screening compound: [(3S,4S)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]methyl methyl ether

SB32-0913 Screening compound: [(3S,4S)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]methyl methyl ether
SB32-0913 Screening compound: [(3S,4S)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]methyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound SB32-0913
[(3S,4S)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]methyl methyl ether

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

SB32-0913

Molecular Formula

C20H26N6O (C20 H26 N6 O)

Compound Name

[(3S,4S)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]methyl methyl ether

IUPAC name

5-[(3S4S)-1-[(13-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]-3-phenyl-1H-124-triazole

SMILES

Cc1nn(C)cc1CN(C[C@@H]1COC)C[C@@H]1c1nc(-c2ccccc2)n[nH]1

InChI

InChI=1S/C20H26N6O/c1-14-16(9-25(2)24-14)10-26-11-17(13-27-3)18(12-26)20-21-19(22-23-20)15-7-5-4-6-8-15/h4-9,17-18H,10-13H2,1-3H3,(H,21,22,23)/t17-,18+/m1/s1

InChI Key

HYPCGQMYMQCUSM-MSOLQXFVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.954

Distribution Coefficient, logD

-3.716

Water Solubility, LogSw

-2.41

Polar Surface Area

61.303

Acid Dissociation Constant (pKa)

6.92

Base Dissociation Constant (pKb)

12.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.00

SB32-0913 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 SB32-0913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB32-0913?
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What is the minimum amount of SB32-0913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB32-0913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB32-0913
  • 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 SB32-0913 available by request