SB21-1559 Screening compound: 1-{[(2S,4S)-1-(3-cyclohexylpropanoyl)-4-fluorotetrahydro-1H-pyrrol-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide

SB21-1559 Screening compound: 1-{[(2S,4S)-1-(3-cyclohexylpropanoyl)-4-fluorotetrahydro-1H-pyrrol-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
SB21-1559 Screening compound: 1-{[(2S,4S)-1-(3-cyclohexylpropanoyl)-4-fluorotetrahydro-1H-pyrrol-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-1559
1-{[(2S,4S)-1-(3-cyclohexylpropanoyl)-4-fluorotetrahydro-1H-pyrrol-2-yl]methyl}-N-(2-methoxyethyl)-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

SB21-1559

Molecular Formula

C20H32FN5O3 (C20 H32 FN5 O3)

Compound Name

1-{[(2S,4S)-1-(3-cyclohexylpropanoyl)-4-fluorotetrahydro-1H-pyrrol-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-{[(2S4S)-1-(3-cyclohexylpropanoyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-123-triazole-4-carboxamide

SMILES

COCCNC(c1cn(C[C@H](C[C@@H](C2)F)N2C(CCC2CCCCC2)=O)nn1)=O

InChI

InChI=1S/C20H32FN5O3/c1-29-10-9-22-20(28)18-14-25(24-23-18)13-17-11-16(21)12-26(17)19(27)8-7-15-5-3-2-4-6-15/h14-17H,2-13H2,1H3,(H,22,28)/t16-,17+/m0/s1

InChI Key

RZVOWEYFOQTKLK-DLBZAZTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.938

Distribution Coefficient, logD

1.938

Water Solubility, LogSw

-2.24

Polar Surface Area

75.879

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

80.00

SB21-1559 in Drug Discovery

Included in Screening Libraries

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 SB21-1559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-1559?
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What is the minimum amount of SB21-1559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-1559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-1559
  • 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 SB21-1559 available by request