SB34-0026 Screening compound: 3,5-dimethyl-4-isoxazolyl [(3S,4S)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl] sulfone

SB34-0026 Screening compound: 3,5-dimethyl-4-isoxazolyl [(3S,4S)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl] sulfone
SB34-0026 Screening compound: 3,5-dimethyl-4-isoxazolyl [(3S,4S)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl] sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB34-0026
3,5-dimethyl-4-isoxazolyl [(3S,4S)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl] sulfone

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

SB34-0026

Molecular Formula

C13H18FN5O3S (C13 H18 FN5 O3 S)

Compound Name

3,5-dimethyl-4-isoxazolyl [(3S,4S)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl] sulfone

IUPAC name

5-[(3S4S)-1-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-124-triazole

SMILES

Cc1noc(C)c1S(N(C[C@@H]1CF)C[C@@H]1c1nc(C)n[nH]1)(=O)=O

InChI

InChI=1S/C13H18FN5O3S/c1-7-12(8(2)22-18-7)23(20,21)19-5-10(4-14)11(6-19)13-15-9(3)16-17-13/h10-11H,4-6H2,1-3H3,(H,15,16,17)/t10-,11-/m1/s1

InChI Key

UKVMWSPNNVHHIG-GHMZBOCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.007

Distribution Coefficient, logD

-0.007

Water Solubility, LogSw

-2.15

Polar Surface Area

87.618

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.54

References: we are preparing a list of scientific research reports with SB34-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB34-0026?
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What is the minimum amount of SB34-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB34-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB34-0026
  • 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 SB34-0026 available by request