SB29-0182 Screening compound: 2-(2,5-dimethoxyphenyl)-1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]-1-ethanone

SB29-0182 Screening compound: 2-(2,5-dimethoxyphenyl)-1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]-1-ethanone
SB29-0182 Screening compound: 2-(2,5-dimethoxyphenyl)-1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB29-0182
2-(2,5-dimethoxyphenyl)-1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]-1-ethanone

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

SB29-0182

Molecular Formula

C18H24N4O4 (C18 H24 N4 O4)

Compound Name

2-(2,5-dimethoxyphenyl)-1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)tetrahydro-1H-pyrrol-1-yl]-1-ethanone

IUPAC name

2-(25-dimethoxyphenyl)-1-[(2S4S)-4-methoxy-2-(5-methyl-1H-124-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one

SMILES

Cc1nc([C@H](C[C@@H](C2)OC)N2C(Cc(cc(cc2)OC)c2OC)=O)n[nH]1

InChI

InChI=1S/C18H24N4O4/c1-11-19-18(21-20-11)15-9-14(25-3)10-22(15)17(23)8-12-7-13(24-2)5-6-16(12)26-4/h5-7,14-15H,8-10H2,1-4H3,(H,19,20,21)/t14-,15+/m1/s1

InChI Key

VMCUSJQGTBWMIW-CABCVRRESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.665

Distribution Coefficient, logD

1.664

Water Solubility, LogSw

-2.16

Polar Surface Area

71.982

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

SB29-0182 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with SB29-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB29-0182?
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What is the minimum amount of SB29-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB29-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB29-0182
  • 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 SB29-0182 available by request