SB21-0524 Screening compound: 1-((2S,4S)-2-{[4-(2,3-dihydro-1H-indol-1-ylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}-4-fluorotetrahydro-1H-pyrrol-1-yl)-3-(1H-imidazol-1-yl)-1-propanone

SB21-0524 Screening compound: 1-((2S,4S)-2-{[4-(2,3-dihydro-1H-indol-1-ylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}-4-fluorotetrahydro-1H-pyrrol-1-yl)-3-(1H-imidazol-1-yl)-1-propanone
SB21-0524 Screening compound: 1-((2S,4S)-2-{[4-(2,3-dihydro-1H-indol-1-ylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}-4-fluorotetrahydro-1H-pyrrol-1-yl)-3-(1H-imidazol-1-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-0524
1-((2S,4S)-2-{[4-(2,3-dihydro-1H-indol-1-ylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}-4-fluorotetrahydro-1H-pyrrol-1-yl)-3-(1H-imidazol-1-yl)-1-propanone

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

SB21-0524

Molecular Formula

C22H24FN7O2 (C22 H24 FN7 O2)

Compound Name

1-((2S,4S)-2-{[4-(2,3-dihydro-1H-indol-1-ylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}-4-fluorotetrahydro-1H-pyrrol-1-yl)-3-(1H-imidazol-1-yl)-1-propanone

IUPAC name

1-[(2S4S)-2-{[4-(23-dihydro-1H-indole-1-carbonyl)-1H-123-triazol-1-yl]methyl}-4-fluoropyrrolidin-1-yl]-3-(1H-imidazol-1-yl)propan-1-one

SMILES

O=C(CCn1cncc1)N(C1)[C@H](Cn2nnc(C(N(CC3)c4c3cccc4)=O)c2)C[C@@H]1F

InChI

InChI=1S/C22H24FN7O2/c23-17-11-18(30(12-17)21(31)6-8-27-10-7-24-15-27)13-28-14-19(25-26-28)22(32)29-9-5-16-3-1-2-4-20(16)29/h1-4,7,10,14-15,17-18H,5-6,8-9,11-13H2/t17-,18+/m0/s1

InChI Key

VPPCGFPDMSFNMX-ZWKOTPCHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.778

Distribution Coefficient, logD

0.691

Water Solubility, LogSw

-0.94

Polar Surface Area

71.298

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

6.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.91

SB21-0524 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB21-0524 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-0524?
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What is the minimum amount of SB21-0524 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-0524
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-0524
  • 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 SB21-0524 available by request