SB34-0187 Screening compound: (3S,4S)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl methyl sulfone

SB34-0187 Screening compound: (3S,4S)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl methyl sulfone
SB34-0187 Screening compound: (3S,4S)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl methyl sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB34-0187
(3S,4S)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl methyl 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

SB34-0187

Molecular Formula

C11H17FN4O2S (C11 H17 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CS(N(C[C@@H]1CF)C[C@@H]1c1nc(C2CC2)n[nH]1)(=O)=O

InChI

InChI=1S/C11H17FN4O2S/c1-19(17,18)16-5-8(4-12)9(6-16)11-13-10(14-15-11)7-2-3-7/h7-9H,2-6H2,1H3,(H,13,14,15)/t8-,9-/m1/s1

InChI Key

KLLKUNMVDOHKLQ-RKDXNWHRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.588

Distribution Coefficient, logD

0.583

Water Solubility, LogSw

-1.96

Polar Surface Area

65.983

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

81.82

SB34-0187 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with SB34-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB34-0187?
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What is the minimum amount of SB34-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB34-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB34-0187
  • 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 SB34-0187 available by request