SB21-1192 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-(3-methoxyphenyl)-1-propanone

SB21-1192 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-(3-methoxyphenyl)-1-propanone
SB21-1192 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-(3-methoxyphenyl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB21-1192
1-((2S,4S)-4-fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-3-(3-methoxyphenyl)-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

SB21-1192

Molecular Formula

C22H28FN5O3 (C22 H28 FN5 O3)

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-(3-methoxyphenyl)-1-propanone

IUPAC name

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

SMILES

COc1cccc(CCC(N(C2)[C@H](Cn3nnc(C(N4CCCC4)=O)c3)C[C@@H]2F)=O)c1

InChI

InChI=1S/C22H28FN5O3/c1-31-19-6-4-5-16(11-19)7-8-21(29)28-13-17(23)12-18(28)14-27-15-20(24-25-27)22(30)26-9-2-3-10-26/h4-6,11,15,17-18H,2-3,7-10,12-14H2,1H3/t17-,18+/m0/s1

InChI Key

QQHFLQZEPHXOHD-ZWKOTPCHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.001

Distribution Coefficient, logD

2.001

Water Solubility, LogSw

-2.06

Polar Surface Area

67.376

Acid Dissociation Constant (pKa)

23.82

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.54

References: we are preparing a list of scientific research reports with SB21-1192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB21-1192?
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What is the minimum amount of SB21-1192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB21-1192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB21-1192
  • 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 SB21-1192 available by request