SB34-0227 Screening compound: 3-cyclohexyl-5-[(3S,4S)-4-(fluoromethyl)-1-isopropyltetrahydro-1H-pyrrol-3-yl]-1H-1,2,4-triazole

SB34-0227 Screening compound: 3-cyclohexyl-5-[(3S,4S)-4-(fluoromethyl)-1-isopropyltetrahydro-1H-pyrrol-3-yl]-1H-1,2,4-triazole
SB34-0227 Screening compound: 3-cyclohexyl-5-[(3S,4S)-4-(fluoromethyl)-1-isopropyltetrahydro-1H-pyrrol-3-yl]-1H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SB34-0227
3-cyclohexyl-5-[(3S,4S)-4-(fluoromethyl)-1-isopropyltetrahydro-1H-pyrrol-3-yl]-1H-1,2,4-triazole

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

SB34-0227

Molecular Formula

C16H27FN4 (C16 H27 FN4)

Compound Name

3-cyclohexyl-5-[(3S,4S)-4-(fluoromethyl)-1-isopropyltetrahydro-1H-pyrrol-3-yl]-1H-1,2,4-triazole

IUPAC name

3-cyclohexyl-5-[(3S4S)-4-(fluoromethyl)-1-(propan-2-yl)pyrrolidin-3-yl]-1H-124-triazole

SMILES

CC(C)N(C[C@@H]1CF)C[C@@H]1c1nc(C2CCCCC2)n[nH]1

InChI

InChI=1S/C16H27FN4/c1-11(2)21-9-13(8-17)14(10-21)16-18-15(19-20-16)12-6-4-3-5-7-12/h11-14H,3-10H2,1-2H3,(H,18,19,20)/t13-,14-/m1/s1

InChI Key

IYDGSGWFIRZPTN-ZIAGYGMSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.020

Distribution Coefficient, logD

-0.727

Water Solubility, LogSw

-3.12

Polar Surface Area

38.233

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

10.64

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

87.50

SB34-0227 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB34-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB34-0227?
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What is the minimum amount of SB34-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB34-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB34-0227
  • 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 SB34-0227 available by request