SB34-0161 Screening compound: (3S,4S)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl (2,4-difluorophenyl) sulfone

SB34-0161 Screening compound: (3S,4S)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl (2,4-difluorophenyl) sulfone
SB34-0161 Screening compound: (3S,4S)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl (2,4-difluorophenyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB34-0161
(3S,4S)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl (2,4-difluorophenyl) 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

SB34-0161

Molecular Formula

C16H17F3N4O2S (C16 H17 F3 N4 O2 S)

Compound Name

(3S,4S)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl (2,4-difluorophenyl) sulfone

IUPAC name

3-cyclopropyl-5-[(3S4S)-1-(24-difluorobenzenesulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-1H-124-triazole

SMILES

O=S(c(ccc(F)c1)c1F)(N(C[C@@H]1CF)C[C@@H]1c1nc(C2CC2)n[nH]1)=O

InChI

InChI=1S/C16H17F3N4O2S/c17-6-10-7-23(26(24,25)14-4-3-11(18)5-13(14)19)8-12(10)16-20-15(21-22-16)9-1-2-9/h3-5,9-10,12H,1-2,6-8H2,(H,20,21,22)/t10-,12-/m1/s1

InChI Key

HIDMZBQQOTYHGZ-ZYHUDNBSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.296

Distribution Coefficient, logD

2.293

Water Solubility, LogSw

-2.79

Polar Surface Area

66.219

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with SB34-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB34-0161?
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What is the minimum amount of SB34-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB34-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB34-0161
  • 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 SB34-0161 available by request