SB34-1141 Screening compound: 2-{[(3S,4S)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl]methyl}-4,5-dimethoxyphenyl methyl ether

SB34-1141 Screening compound: 2-{[(3S,4S)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl]methyl}-4,5-dimethoxyphenyl methyl ether
SB34-1141 Screening compound: 2-{[(3S,4S)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl]methyl}-4,5-dimethoxyphenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound SB34-1141
2-{[(3S,4S)-3-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl]methyl}-4,5-dimethoxyphenyl methyl ether

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

SB34-1141

Molecular Formula

C23H33FN4O3 (C23 H33 FN4 O3)

Compound Name

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

IUPAC name

3-cyclohexyl-5-[(3S4S)-4-(fluoromethyl)-1-[(245-trimethoxyphenyl)methyl]pyrrolidin-3-yl]-1H-124-triazole

SMILES

COc(cc1OC)c(CN(C[C@@H]2CF)C[C@@H]2c2nc(C3CCCCC3)n[nH]2)cc1OC

InChI

InChI=1S/C23H33FN4O3/c1-29-19-10-21(31-3)20(30-2)9-16(19)12-28-13-17(11-24)18(14-28)23-25-22(26-27-23)15-7-5-4-6-8-15/h9-10,15,17-18H,4-8,11-14H2,1-3H3,(H,25,26,27)/t17-,18-/m0/s1

InChI Key

RRLIBNOTIWLXFI-ROUUACIJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.502

Distribution Coefficient, logD

0.048

Water Solubility, LogSw

-3.70

Polar Surface Area

60.801

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

10.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.22

SB34-1141 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB34-1141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB34-1141?
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What is the minimum amount of SB34-1141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB34-1141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB34-1141
  • 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 SB34-1141 available by request