SB21-1124 Screening compound: ((2S,4S)-4-fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(morpholino)methanone

SB21-1124 Screening compound: ((2S,4S)-4-fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(morpholino)methanone
SB21-1124 Screening compound: ((2S,4S)-4-fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(morpholino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-1124
((2S,4S)-4-fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(morpholino)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

SB21-1124

Molecular Formula

C17H25FN6O3 (C17 H25 FN6 O3)

Compound Name

((2S,4S)-4-fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(morpholino)methanone

IUPAC name

4-[(2S4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-123-triazol-1-yl]methyl}pyrrolidine-1-carbonyl]morpholine

SMILES

O=C(c1cn(C[C@H](C[C@@H](C2)F)N2C(N2CCOCC2)=O)nn1)N1CCCC1

InChI

InChI=1S/C17H25FN6O3/c18-13-9-14(24(10-13)17(26)22-5-7-27-8-6-22)11-23-12-15(19-20-23)16(25)21-3-1-2-4-21/h12-14H,1-11H2/t13-,14+/m0/s1

InChI Key

LKWNTNUKICIFKF-UONOGXRCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.129

Distribution Coefficient, logD

0.129

Water Solubility, LogSw

-0.22

Polar Surface Area

70.074

Acid Dissociation Constant (pKa)

25.37

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

76.47

SB21-1124 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 SB21-1124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-1124?
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What is the minimum amount of SB21-1124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-1124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-1124
  • 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 SB21-1124 available by request