SB29-0232 Screening compound: 3-[(2S,4S)-4-(benzyloxy)-1-(2-thienylmethyl)tetrahydro-1H-pyrrol-2-yl]-5-methyl-1H-1,2,4-triazole

SB29-0232 Screening compound: 3-[(2S,4S)-4-(benzyloxy)-1-(2-thienylmethyl)tetrahydro-1H-pyrrol-2-yl]-5-methyl-1H-1,2,4-triazole
SB29-0232 Screening compound: 3-[(2S,4S)-4-(benzyloxy)-1-(2-thienylmethyl)tetrahydro-1H-pyrrol-2-yl]-5-methyl-1H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SB29-0232
3-[(2S,4S)-4-(benzyloxy)-1-(2-thienylmethyl)tetrahydro-1H-pyrrol-2-yl]-5-methyl-1H-1,2,4-triazole

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

SB29-0232

Molecular Formula

C19H22N4OS (C19 H22 N4 OS)

Compound Name

3-[(2S,4S)-4-(benzyloxy)-1-(2-thienylmethyl)tetrahydro-1H-pyrrol-2-yl]-5-methyl-1H-1,2,4-triazole

IUPAC name

3-[(2S4S)-4-(benzyloxy)-1-[(thiophen-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1H-124-triazole

SMILES

Cc1nc([C@H](C2)N(Cc3cccs3)C[C@H]2OCc2ccccc2)n[nH]1

InChI

InChI=1S/C19H22N4OS/c1-14-20-19(22-21-14)18-10-16(24-13-15-6-3-2-4-7-15)11-23(18)12-17-8-5-9-25-17/h2-9,16,18H,10-13H2,1H3,(H,20,21,22)/t16-,18+/m1/s1

InChI Key

RIYHPWUQDXCZSF-AEFFLSMTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.056

Distribution Coefficient, logD

3.053

Water Solubility, LogSw

-3.08

Polar Surface Area

45.288

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.84

SB29-0232 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 SB29-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB29-0232?
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What is the minimum amount of SB29-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB29-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB29-0232
  • 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 SB29-0232 available by request