SB21-1347 Screening compound: 1-({(2S,4S)-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-fluorotetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide

SB21-1347 Screening compound: 1-({(2S,4S)-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-fluorotetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
SB21-1347 Screening compound: 1-({(2S,4S)-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-fluorotetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-1347
1-({(2S,4S)-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-fluorotetrahydro-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

SB21-1347

Molecular Formula

C13H17FN6O4S (C13 H17 FN6 O4 S)

Compound Name

1-({(2S,4S)-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-fluorotetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-{[(2S4S)-1-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-4-fluoropyrrolidin-2-yl]methyl}-1H-123-triazole-4-carboxamide

SMILES

Cc1noc(C)c1S(N(C1)[C@H](Cn2nnc(C(N)=O)c2)C[C@@H]1F)(=O)=O

InChI

InChI=1S/C13H17FN6O4S/c1-7-12(8(2)24-17-7)25(22,23)20-4-9(14)3-10(20)5-19-6-11(13(15)21)16-18-19/h6,9-10H,3-5H2,1-2H3,(H2,15,21)/t9-,10+/m1/s1

InChI Key

IODQROARUJGEFM-ZJUUUORDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.38

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

-0.840

Distribution Coefficient, logD

-0.840

Water Solubility, LogSw

-1.07

Polar Surface Area

115.282

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.85

SB21-1347 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 SB21-1347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-1347?
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What is the minimum amount of SB21-1347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-1347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-1347
  • 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 SB21-1347 available by request