SB34-0268 Screening compound: 3-cyclohexyl-5-{(3S,4S)-4-(fluoromethyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]tetrahydro-1H-pyrrol-3-yl}-1H-1,2,4-triazole

SB34-0268 Screening compound: 3-cyclohexyl-5-{(3S,4S)-4-(fluoromethyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]tetrahydro-1H-pyrrol-3-yl}-1H-1,2,4-triazole
SB34-0268 Screening compound: 3-cyclohexyl-5-{(3S,4S)-4-(fluoromethyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]tetrahydro-1H-pyrrol-3-yl}-1H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SB34-0268
3-cyclohexyl-5-{(3S,4S)-4-(fluoromethyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]tetrahydro-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

SB34-0268

Molecular Formula

C18H27FN6 (C18 H27 FN6)

Compound Name

3-cyclohexyl-5-{(3S,4S)-4-(fluoromethyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]tetrahydro-1H-pyrrol-3-yl}-1H-1,2,4-triazole

IUPAC name

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

SMILES

Cn1ncc(CN(C[C@@H]2CF)C[C@@H]2c2nc(C3CCCCC3)n[nH]2)c1

InChI

InChI=1S/C18H27FN6/c1-24-9-13(8-20-24)10-25-11-15(7-19)16(12-25)18-21-17(22-23-18)14-5-3-2-4-6-14/h8-9,14-16H,2-7,10-12H2,1H3,(H,21,22,23)/t15-,16-/m0/s1

InChI Key

HQDFJTXVCDAISF-HOTGVXAUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.867

Distribution Coefficient, logD

-4.304

Water Solubility, LogSw

-2.30

Polar Surface Area

52.718

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

13.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

72.22

SB34-0268 in Drug Discovery

Included in Screening Libraries

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 SB34-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB34-0268?
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What is the minimum amount of SB34-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB34-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB34-0268
  • 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 SB34-0268 available by request