SB21-0451 Screening compound: N~4~-benzyl-1-({(2S,4S)-1-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-4-fluorotetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide

SB21-0451 Screening compound: N~4~-benzyl-1-({(2S,4S)-1-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-4-fluorotetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
SB21-0451 Screening compound: N~4~-benzyl-1-({(2S,4S)-1-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-4-fluorotetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-0451
N~4~-benzyl-1-({(2S,4S)-1-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-4-fluorotetrahydro-1H-pyrrol-2-yl}methyl)-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

SB21-0451

Molecular Formula

C21H24FN7O2 (C21 H24 FN7 O2)

Compound Name

N~4~-benzyl-1-({(2S,4S)-1-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-4-fluorotetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-benzyl-1-{[(2S4S)-1-(15-dimethyl-1H-pyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-123-triazole-4-carboxamide

SMILES

Cc1cc(C(N(C2)[C@H](Cn3nnc(C(NCc4ccccc4)=O)c3)C[C@@H]2F)=O)nn1C

InChI

InChI=1S/C21H24FN7O2/c1-14-8-18(25-27(14)2)21(31)29-11-16(22)9-17(29)12-28-13-19(24-26-28)20(30)23-10-15-6-4-3-5-7-15/h3-8,13,16-17H,9-12H2,1-2H3,(H,23,30)/t16-,17+/m0/s1

InChI Key

YAUXBMAMRXFAEC-DLBZAZTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.869

Distribution Coefficient, logD

0.869

Water Solubility, LogSw

-1.77

Polar Surface Area

82.245

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with SB21-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-0451?
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What is the minimum amount of SB21-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-0451
  • 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 SB21-0451 available by request