SB21-1348 Screening compound: 1-({(2S,4S)-1-[(4-ethoxyphenyl)sulfonyl]-4-fluorotetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide

SB21-1348 Screening compound: 1-({(2S,4S)-1-[(4-ethoxyphenyl)sulfonyl]-4-fluorotetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
SB21-1348 Screening compound: 1-({(2S,4S)-1-[(4-ethoxyphenyl)sulfonyl]-4-fluorotetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-1348
1-({(2S,4S)-1-[(4-ethoxyphenyl)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

SB21-1348

Molecular Formula

C16H20FN5O4S (C16 H20 FN5 O4 S)

Compound Name

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

IUPAC name

1-{[(2S4S)-1-(4-ethoxybenzenesulfonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-123-triazole-4-carboxamide

SMILES

CCOc(cc1)ccc1S(N(C1)[C@H](Cn2nnc(C(N)=O)c2)C[C@@H]1F)(=O)=O

InChI

InChI=1S/C16H20FN5O4S/c1-2-26-13-3-5-14(6-4-13)27(24,25)22-8-11(17)7-12(22)9-21-10-15(16(18)23)19-20-21/h3-6,10-12H,2,7-9H2,1H3,(H2,18,23)/t11-,12+/m1/s1

InChI Key

RRSMDUVEIXZKTK-NEPJUHHUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.789

Distribution Coefficient, logD

0.789

Water Solubility, LogSw

-2.40

Polar Surface Area

100.368

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.75

SB21-1348 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 SB21-1348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-1348?
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What is the minimum amount of SB21-1348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-1348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-1348
  • 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 SB21-1348 available by request