SB34-1123 Screening compound: 2-(1-azepanyl)-1-[(3S,4S)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl]-1-ethanone

SB34-1123 Screening compound: 2-(1-azepanyl)-1-[(3S,4S)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl]-1-ethanone
SB34-1123 Screening compound: 2-(1-azepanyl)-1-[(3S,4S)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB34-1123
2-(1-azepanyl)-1-[(3S,4S)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl]-1-ethanone

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

SB34-1123

Molecular Formula

C18H28FN5O (C18 H28 FN5 O)

Compound Name

2-(1-azepanyl)-1-[(3S,4S)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)tetrahydro-1H-pyrrol-1-yl]-1-ethanone

IUPAC name

2-(azepan-1-yl)-1-[(3S4S)-3-(3-cyclopropyl-1H-124-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]ethan-1-one

SMILES

O=C(CN1CCCCCC1)N(C[C@@H]1CF)C[C@@H]1c1nc(C2CC2)n[nH]1

InChI

InChI=1S/C18H28FN5O/c19-9-14-10-24(16(25)12-23-7-3-1-2-4-8-23)11-15(14)18-20-17(21-22-18)13-5-6-13/h13-15H,1-12H2,(H,20,21,22)/t14-,15-/m0/s1

InChI Key

LZUUCBSAIKJYFR-GJZGRUSLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.45

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

1.646

Distribution Coefficient, logD

-0.081

Water Solubility, LogSw

-2.39

Polar Surface Area

54.964

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

9.12

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

83.33

References: we are preparing a list of scientific research reports with SB34-1123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB34-1123?
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What is the minimum amount of SB34-1123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB34-1123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB34-1123
  • 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 SB34-1123 available by request