SB21-1160 Screening compound: [1-({(2S,4S)-4-fluoro-1-[(5-fluoro-2-methylphenyl)sulfonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazol-4-yl](1-pyrrolidinyl)methanone

SB21-1160 Screening compound: [1-({(2S,4S)-4-fluoro-1-[(5-fluoro-2-methylphenyl)sulfonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazol-4-yl](1-pyrrolidinyl)methanone
SB21-1160 Screening compound: [1-({(2S,4S)-4-fluoro-1-[(5-fluoro-2-methylphenyl)sulfonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazol-4-yl](1-pyrrolidinyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-1160
[1-({(2S,4S)-4-fluoro-1-[(5-fluoro-2-methylphenyl)sulfonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazol-4-yl](1-pyrrolidinyl)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

SB21-1160

Molecular Formula

C19H23F2N5O3S (C19 H23 F2 N5 O3 S)

Compound Name

[1-({(2S,4S)-4-fluoro-1-[(5-fluoro-2-methylphenyl)sulfonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazol-4-yl](1-pyrrolidinyl)methanone

IUPAC name

1-{[(2S4S)-4-fluoro-1-(5-fluoro-2-methylbenzenesulfonyl)pyrrolidin-2-yl]methyl}-4-(pyrrolidine-1-carbonyl)-1H-123-triazole

SMILES

Cc(ccc(F)c1)c1S(N(C1)[C@H](Cn2nnc(C(N3CCCC3)=O)c2)C[C@@H]1F)(=O)=O

InChI

InChI=1S/C19H23F2N5O3S/c1-13-4-5-14(20)9-18(13)30(28,29)26-10-15(21)8-16(26)11-25-12-17(22-23-25)19(27)24-6-2-3-7-24/h4-5,9,12,15-16H,2-3,6-8,10-11H2,1H3/t15-,16+/m1/s1

InChI Key

YARIEWXITGFIEK-CVEARBPZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.903

Distribution Coefficient, logD

1.903

Water Solubility, LogSw

-2.36

Polar Surface Area

76.199

Acid Dissociation Constant (pKa)

24.99

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.63

SB21-1160 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 SB21-1160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-1160?
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What is the minimum amount of SB21-1160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-1160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-1160
  • 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 SB21-1160 available by request