SB34-0433 Screening compound: 1-[(3S,4S)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]-3-(phenylsulfonyl)-1-propanone

SB34-0433 Screening compound: 1-[(3S,4S)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]-3-(phenylsulfonyl)-1-propanone
SB34-0433 Screening compound: 1-[(3S,4S)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]-3-(phenylsulfonyl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB34-0433
1-[(3S,4S)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]-3-(phenylsulfonyl)-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

SB34-0433

Molecular Formula

C22H23FN4O3S (C22 H23 FN4 O3 S)

Compound Name

1-[(3S,4S)-3-(fluoromethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]-3-(phenylsulfonyl)-1-propanone

IUPAC name

3-(benzenesulfonyl)-1-[(3S4S)-3-(fluoromethyl)-4-(3-phenyl-1H-124-triazol-5-yl)pyrrolidin-1-yl]propan-1-one

SMILES

O=C(CCS(c1ccccc1)(=O)=O)N(C[C@@H]1CF)C[C@@H]1c1nc(-c2ccccc2)n[nH]1

InChI

InChI=1S/C22H23FN4O3S/c23-13-17-14-27(20(28)11-12-31(29,30)18-9-5-2-6-10-18)15-19(17)22-24-21(25-26-22)16-7-3-1-4-8-16/h1-10,17,19H,11-15H2,(H,24,25,26)/t17-,19-/m1/s1

InChI Key

DNDPAUWWDGCHDA-IEBWSBKVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.112

Distribution Coefficient, logD

2.108

Water Solubility, LogSw

-2.88

Polar Surface Area

79.142

Acid Dissociation Constant (pKa)

7.46

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.82

SB34-0433 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 SB34-0433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB34-0433?
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What is the minimum amount of SB34-0433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB34-0433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB34-0433
  • 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 SB34-0433 available by request