SB34-0048 Screening compound: 2-{[(3S,4S)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methyl}-5-methoxyphenyl methyl ether

SB34-0048 Screening compound: 2-{[(3S,4S)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methyl}-5-methoxyphenyl methyl ether
SB34-0048 Screening compound: 2-{[(3S,4S)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methyl}-5-methoxyphenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound SB34-0048
2-{[(3S,4S)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methyl}-5-methoxyphenyl 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

SB34-0048

Molecular Formula

C17H23FN4O2 (C17 H23 FN4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1n[nH]c([C@@H]2[C@@H](CF)CN(Cc(ccc(OC)c3)c3OC)C2)n1

InChI

InChI=1S/C17H23FN4O2/c1-11-19-17(21-20-11)15-10-22(9-13(15)7-18)8-12-4-5-14(23-2)6-16(12)24-3/h4-6,13,15H,7-10H2,1-3H3,(H,19,20,21)/t13-,15-/m0/s1

InChI Key

OEXGXKJIUPCXMY-ZFWWWQNUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.700

Distribution Coefficient, logD

-0.311

Water Solubility, LogSw

-2.39

Polar Surface Area

52.776

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

9.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.94

References: we are preparing a list of scientific research reports with SB34-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB34-0048?
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What is the minimum amount of SB34-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB34-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB34-0048
  • 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 SB34-0048 available by request