SB21-1168 Screening compound: [1-({(2S,4S)-1-[(3,5-difluorophenyl)sulfonyl]-4-fluorotetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazol-4-yl](1-pyrrolidinyl)methanone

SB21-1168 Screening compound: [1-({(2S,4S)-1-[(3,5-difluorophenyl)sulfonyl]-4-fluorotetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazol-4-yl](1-pyrrolidinyl)methanone
SB21-1168 Screening compound: [1-({(2S,4S)-1-[(3,5-difluorophenyl)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 SB21-1168
[1-({(2S,4S)-1-[(3,5-difluorophenyl)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

SB21-1168

Molecular Formula

C18H20F3N5O3S (C18 H20 F3 N5 O3 S)

Compound Name

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

IUPAC name

1-{[(2S4S)-1-(35-difluorobenzenesulfonyl)-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(c2cc(F)cc(F)c2)(=O)=O)nn1)N1CCCC1

InChI

InChI=1S/C18H20F3N5O3S/c19-12-5-13(20)8-16(7-12)30(28,29)26-9-14(21)6-15(26)10-25-11-17(22-23-25)18(27)24-3-1-2-4-24/h5,7-8,11,14-15H,1-4,6,9-10H2/t14-,15+/m1/s1

InChI Key

GOCQYXLXEWWWHQ-CABCVRRESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.45

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

1.726

Distribution Coefficient, logD

1.726

Water Solubility, LogSw

-2.27

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

SB21-1168 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 SB21-1168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-1168?
Check Price and Availability of SB21-1168, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SB21-1168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-1168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-1168
  • 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 SB21-1168 available by request