SA85-0346 Screening compound: 6-hydroxy-1-(2-phenylethyl)-4-[2-(1H-pyrazol-1-yl)acetyl]-1,4-diazepan-2-one

SA85-0346 Screening compound: 6-hydroxy-1-(2-phenylethyl)-4-[2-(1H-pyrazol-1-yl)acetyl]-1,4-diazepan-2-one
SA85-0346 Screening compound: 6-hydroxy-1-(2-phenylethyl)-4-[2-(1H-pyrazol-1-yl)acetyl]-1,4-diazepan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA85-0346
6-hydroxy-1-(2-phenylethyl)-4-[2-(1H-pyrazol-1-yl)acetyl]-1,4-diazepan-2-one

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

SA85-0346

Molecular Formula

C18H22N4O3 (C18 H22 N4 O3)

Compound Name

6-hydroxy-1-(2-phenylethyl)-4-[2-(1H-pyrazol-1-yl)acetyl]-1,4-diazepan-2-one

IUPAC name

6-hydroxy-1-(2-phenylethyl)-4-[2-(1H-pyrazol-1-yl)acetyl]-14-diazepan-2-one

SMILES

OC(CN(CCc1ccccc1)C(C1)=O)CN1C(Cn1nccc1)=O

InChI

InChI=1S/C18H22N4O3/c23-16-11-20(10-7-15-5-2-1-3-6-15)17(24)13-21(12-16)18(25)14-22-9-4-8-19-22/h1-6,8-9,16,23H,7,10-14H2/t16-/m1/s1

InChI Key

LGXDBECPLHFYOT-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32243002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.292

Distribution Coefficient, logD

-0.292

Water Solubility, LogSw

-1.21

Polar Surface Area

63.690

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.89

SA85-0346 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SA85-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA85-0346?
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What is the minimum amount of SA85-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA85-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA85-0346
  • 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 SA85-0346 available by request