SB29-0162 Screening compound: 3-{[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methyl}-1-methyl-1H-indole

SB29-0162 Screening compound: 3-{[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methyl}-1-methyl-1H-indole
SB29-0162 Screening compound: 3-{[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methyl}-1-methyl-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound SB29-0162
3-{[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methyl}-1-methyl-1H-indole

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

SB29-0162

Molecular Formula

C18H23N5O (C18 H23 N5 O)

Compound Name

3-{[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]methyl}-1-methyl-1H-indole

IUPAC name

3-{[(2S4S)-4-methoxy-2-(5-methyl-1H-124-triazol-3-yl)pyrrolidin-1-yl]methyl}-1-methyl-1H-indole

SMILES

Cc1nc([C@H](C2)N(Cc3cn(C)c4c3cccc4)C[C@H]2OC)n[nH]1

InChI

InChI=1S/C18H23N5O/c1-12-19-18(21-20-12)17-8-14(24-3)11-23(17)10-13-9-22(2)16-7-5-4-6-15(13)16/h4-7,9,14,17H,8,10-11H2,1-3H3,(H,19,20,21)/t14-,17+/m0/s1

InChI Key

BAEZITWQTNRFLC-WMLDXEAASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.988

Distribution Coefficient, logD

1.374

Water Solubility, LogSw

-2.30

Polar Surface Area

47.145

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

7.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.44

SB29-0162 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with SB29-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of SB29-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB29-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB29-0162
  • 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 SB29-0162 available by request