SB21-0567 Screening compound: 2,3-dihydro-1H-indol-1-yl(1-{[(2S,4S)-4-fluoro-1-(tetrahydro-2H-pyran-4-ylcarbonyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methanone

SB21-0567 Screening compound: 2,3-dihydro-1H-indol-1-yl(1-{[(2S,4S)-4-fluoro-1-(tetrahydro-2H-pyran-4-ylcarbonyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methanone
SB21-0567 Screening compound: 2,3-dihydro-1H-indol-1-yl(1-{[(2S,4S)-4-fluoro-1-(tetrahydro-2H-pyran-4-ylcarbonyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-0567
2,3-dihydro-1H-indol-1-yl(1-{[(2S,4S)-4-fluoro-1-(tetrahydro-2H-pyran-4-ylcarbonyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methanone

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

SB21-0567

Molecular Formula

C22H26FN5O3 (C22 H26 FN5 O3)

Compound Name

2,3-dihydro-1H-indol-1-yl(1-{[(2S,4S)-4-fluoro-1-(tetrahydro-2H-pyran-4-ylcarbonyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methanone

IUPAC name

1-(1-{[(2S4S)-4-fluoro-1-(oxane-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-123-triazole-4-carbonyl)-23-dihydro-1H-indole

SMILES

O=C(C1CCOCC1)N(C1)[C@H](Cn2nnc(C(N(CC3)c4c3cccc4)=O)c2)C[C@@H]1F

InChI

InChI=1S/C22H26FN5O3/c23-17-11-18(28(12-17)21(29)16-6-9-31-10-7-16)13-26-14-19(24-25-26)22(30)27-8-5-15-3-1-2-4-20(15)27/h1-4,14,16-18H,5-13H2/t17-,18+/m0/s1

InChI Key

DBCWPLAIPLPQCV-ZWKOTPCHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.631

Distribution Coefficient, logD

1.631

Water Solubility, LogSw

-1.68

Polar Surface Area

67.125

Acid Dissociation Constant (pKa)

24.21

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.54

SB21-0567 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB21-0567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-0567?
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What is the minimum amount of SB21-0567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-0567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-0567
  • 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 SB21-0567 available by request