SB21-1209 Screening compound: 1-((2S,4S)-4-fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone

SB21-1209 Screening compound: 1-((2S,4S)-4-fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
SB21-1209 Screening compound: 1-((2S,4S)-4-fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-1209
1-((2S,4S)-4-fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-3-(1,3,5-trimethyl-1H-pyrazol-4-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

SB21-1209

Molecular Formula

C21H30FN7O2 (C21 H30 FN7 O2)

Compound Name

1-((2S,4S)-4-fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone

IUPAC name

1-[(2S4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-123-triazol-1-yl]methyl}pyrrolidin-1-yl]-3-(135-trimethyl-1H-pyrazol-4-yl)propan-1-one

SMILES

Cc1c(CCC(N(C2)[C@H](Cn3nnc(C(N4CCCC4)=O)c3)C[C@@H]2F)=O)c(C)nn1C

InChI

InChI=1S/C21H30FN7O2/c1-14-18(15(2)26(3)24-14)6-7-20(30)29-11-16(22)10-17(29)12-28-13-19(23-25-28)21(31)27-8-4-5-9-27/h13,16-17H,4-12H2,1-3H3/t16-,17+/m0/s1

InChI Key

GAGFZYLKDDXEIV-DLBZAZTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.311

Distribution Coefficient, logD

0.310

Water Solubility, LogSw

-0.37

Polar Surface Area

74.672

Acid Dissociation Constant (pKa)

22.19

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.67

SB21-1209 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 SB21-1209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-1209?
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What is the minimum amount of SB21-1209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-1209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-1209
  • 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 SB21-1209 available by request