SB21-1167 Screening compound: 3-cyclopentyl-1-((2S,4S)-4-fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-1-propanone

SB21-1167 Screening compound: 3-cyclopentyl-1-((2S,4S)-4-fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-1-propanone
SB21-1167 Screening compound: 3-cyclopentyl-1-((2S,4S)-4-fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-1167
3-cyclopentyl-1-((2S,4S)-4-fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-1-propanone

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

SB21-1167

Molecular Formula

C20H30FN5O2 (C20 H30 FN5 O2)

Compound Name

3-cyclopentyl-1-((2S,4S)-4-fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-1-propanone

IUPAC name

3-cyclopentyl-1-[(2S4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-123-triazol-1-yl]methyl}pyrrolidin-1-yl]propan-1-one

SMILES

O=C(CCC1CCCC1)N(C1)[C@H](Cn2nnc(C(N3CCCC3)=O)c2)C[C@@H]1F

InChI

InChI=1S/C20H30FN5O2/c21-16-11-17(26(12-16)19(27)8-7-15-5-1-2-6-15)13-25-14-18(22-23-25)20(28)24-9-3-4-10-24/h14-17H,1-13H2/t16-,17+/m0/s1

InChI Key

ORKSSKLLDXDTSO-DLBZAZTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.991

Distribution Coefficient, logD

1.991

Water Solubility, LogSw

-1.92

Polar Surface Area

60.391

Acid Dissociation Constant (pKa)

24.73

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

80.00

SB21-1167 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB21-1167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-1167?
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What is the minimum amount of SB21-1167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-1167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-1167
  • 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 SB21-1167 available by request