SB32-0174 Screening compound: [(3S,4S)-1-(4-ethoxy-3-methoxybenzyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]methyl methyl ether

SB32-0174 Screening compound: [(3S,4S)-1-(4-ethoxy-3-methoxybenzyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]methyl methyl ether
SB32-0174 Screening compound: [(3S,4S)-1-(4-ethoxy-3-methoxybenzyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]methyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound SB32-0174
[(3S,4S)-1-(4-ethoxy-3-methoxybenzyl)-4-(3-methyl-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

SB32-0174

Molecular Formula

C19H28N4O3 (C19 H28 N4 O3)

Compound Name

[(3S,4S)-1-(4-ethoxy-3-methoxybenzyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]methyl methyl ether

IUPAC name

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

SMILES

CCOc(ccc(CN(C[C@@H]1COC)C[C@@H]1c1nc(C)n[nH]1)c1)c1OC

InChI

InChI=1S/C19H28N4O3/c1-5-26-17-7-6-14(8-18(17)25-4)9-23-10-15(12-24-3)16(11-23)19-20-13(2)21-22-19/h6-8,15-16H,5,9-12H2,1-4H3,(H,20,21,22)/t15-,16+/m0/s1

InChI Key

UZWHFJXBCYSBND-JKSUJKDBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.594

Distribution Coefficient, logD

-2.111

Water Solubility, LogSw

-2.35

Polar Surface Area

60.866

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

10.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.90

SB32-0174 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 SB32-0174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB32-0174?
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What is the minimum amount of SB32-0174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB32-0174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB32-0174
  • 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 SB32-0174 available by request