SB29-0176 Screening compound: (3S,5S)-1-benzyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-3-yl methyl ether

SB29-0176 Screening compound: (3S,5S)-1-benzyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-3-yl methyl ether
SB29-0176 Screening compound: (3S,5S)-1-benzyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-3-yl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound SB29-0176
(3S,5S)-1-benzyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-3-yl 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

SB29-0176

Molecular Formula

C15H20N4O (C15 H20 N4 O)

Compound Name

(3S,5S)-1-benzyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-3-yl methyl ether

IUPAC name

3-[(2S4S)-1-benzyl-4-methoxypyrrolidin-2-yl]-5-methyl-1H-124-triazole

SMILES

Cc1nc([C@H](C2)N(Cc3ccccc3)C[C@H]2OC)n[nH]1

InChI

InChI=1S/C15H20N4O/c1-11-16-15(18-17-11)14-8-13(20-2)10-19(14)9-12-6-4-3-5-7-12/h3-7,13-14H,8-10H2,1-2H3,(H,16,17,18)/t13-,14+/m0/s1

InChI Key

NPYSINODLQBDEY-UONOGXRCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.750

Distribution Coefficient, logD

1.743

Water Solubility, LogSw

-1.98

Polar Surface Area

44.585

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.67

SB29-0176 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with SB29-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB29-0176?
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What is the minimum amount of SB29-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB29-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB29-0176
  • 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 SB29-0176 available by request