SB21-1356 Screening compound: 1-{[(2S,4S)-4-fluoro-1-(morpholinosulfonyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide

SB21-1356 Screening compound: 1-{[(2S,4S)-4-fluoro-1-(morpholinosulfonyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
SB21-1356 Screening compound: 1-{[(2S,4S)-4-fluoro-1-(morpholinosulfonyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-1356
1-{[(2S,4S)-4-fluoro-1-(morpholinosulfonyl)tetrahydro-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

SB21-1356

Molecular Formula

C12H19FN6O4S (C12 H19 FN6 O4 S)

Compound Name

1-{[(2S,4S)-4-fluoro-1-(morpholinosulfonyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-{[(2S4S)-4-fluoro-1-(morpholine-4-sulfonyl)pyrrolidin-2-yl]methyl}-1H-123-triazole-4-carboxamide

SMILES

NC(c1cn(C[C@H](C[C@@H](C2)F)N2S(N2CCOCC2)(=O)=O)nn1)=O

InChI

InChI=1S/C12H19FN6O4S/c13-9-5-10(7-17-8-11(12(14)20)15-16-17)19(6-9)24(21,22)18-1-3-23-4-2-18/h8-10H,1-7H2,(H2,14,20)/t9-,10+/m1/s1

InChI Key

POSNNPLLMASPGZ-ZJUUUORDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-1.516

Distribution Coefficient, logD

-1.516

Water Solubility, LogSw

-1.02

Polar Surface Area

103.558

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

75.00

SB21-1356 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 SB21-1356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-1356?
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What is the minimum amount of SB21-1356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-1356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-1356
  • 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 SB21-1356 available by request