SB21-0074 Screening compound: 1-({(2S,4S)-1-[(2,6-dimethoxy-3-pyridyl)carbonyl]-4-fluorotetrahydro-1H-pyrrol-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide

SB21-0074 Screening compound: 1-({(2S,4S)-1-[(2,6-dimethoxy-3-pyridyl)carbonyl]-4-fluorotetrahydro-1H-pyrrol-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
SB21-0074 Screening compound: 1-({(2S,4S)-1-[(2,6-dimethoxy-3-pyridyl)carbonyl]-4-fluorotetrahydro-1H-pyrrol-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-0074
1-({(2S,4S)-1-[(2,6-dimethoxy-3-pyridyl)carbonyl]-4-fluorotetrahydro-1H-pyrrol-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide

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

SB21-0074

Molecular Formula

C18H23FN6O4 (C18 H23 FN6 O4)

Compound Name

1-({(2S,4S)-1-[(2,6-dimethoxy-3-pyridyl)carbonyl]-4-fluorotetrahydro-1H-pyrrol-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-{[(2S4S)-1-(26-dimethoxypyridine-3-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-NN-dimethyl-1H-123-triazole-4-carboxamide

SMILES

CN(C)C(c1cn(C[C@H](C[C@@H](C2)F)N2C(c(ccc(OC)n2)c2OC)=O)nn1)=O

InChI

InChI=1S/C18H23FN6O4/c1-23(2)18(27)14-10-24(22-21-14)9-12-7-11(19)8-25(12)17(26)13-5-6-15(28-3)20-16(13)29-4/h5-6,10-12H,7-9H2,1-4H3/t11-,12+/m0/s1

InChI Key

LVNVFCSGENKYRZ-NWDGAFQWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.496

Distribution Coefficient, logD

0.496

Water Solubility, LogSw

-1.90

Polar Surface Area

83.707

Acid Dissociation Constant (pKa)

24.39

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

SB21-0074 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB21-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-0074?
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What is the minimum amount of SB21-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-0074
  • 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 SB21-0074 available by request