SB21-1155 Screening compound: [1-({(2S,4S)-1-[(2-chlorophenyl)sulfonyl]-4-fluorotetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazol-4-yl](1-pyrrolidinyl)methanone

SB21-1155 Screening compound: [1-({(2S,4S)-1-[(2-chlorophenyl)sulfonyl]-4-fluorotetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazol-4-yl](1-pyrrolidinyl)methanone
SB21-1155 Screening compound: [1-({(2S,4S)-1-[(2-chlorophenyl)sulfonyl]-4-fluorotetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazol-4-yl](1-pyrrolidinyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-1155
[1-({(2S,4S)-1-[(2-chlorophenyl)sulfonyl]-4-fluorotetrahydro-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

SB21-1155

Molecular Formula

C18H21ClFN5O3S (C18 H21 ClFN5 O3 S)

Compound Name

[1-({(2S,4S)-1-[(2-chlorophenyl)sulfonyl]-4-fluorotetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazol-4-yl](1-pyrrolidinyl)methanone

IUPAC name

1-{[(2S4S)-1-(2-chlorobenzenesulfonyl)-4-fluoropyrrolidin-2-yl]methyl}-4-(pyrrolidine-1-carbonyl)-1H-123-triazole

SMILES

O=C(c1cn(C[C@H](C[C@@H](C2)F)N2S(c(cccc2)c2Cl)(=O)=O)nn1)N1CCCC1

InChI

InChI=1S/C18H21ClFN5O3S/c19-15-5-1-2-6-17(15)29(27,28)25-10-13(20)9-14(25)11-24-12-16(21-22-24)18(26)23-7-3-4-8-23/h1-2,5-6,12-14H,3-4,7-11H2/t13-,14+/m1/s1

InChI Key

QDVVFCKRWWPEGS-KGLIPLIRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.91

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

1.665

Distribution Coefficient, logD

1.665

Water Solubility, LogSw

-2.51

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

50.00

SB21-1155 in Drug Discovery

Included in Screening Libraries

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 SB21-1155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-1155?
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What is the minimum amount of SB21-1155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-1155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-1155
  • 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 SB21-1155 available by request