SA23-1085 Screening compound: 1-(3-{2-[(dimethylamino)methyl]-4,4-difluoropyrrolidin-1-yl}azetidin-1-yl)-2-(1H-1,2,3,4-tetrazol-1-yl)ethan-1-one

SA23-1085 Screening compound: 1-(3-{2-[(dimethylamino)methyl]-4,4-difluoropyrrolidin-1-yl}azetidin-1-yl)-2-(1H-1,2,3,4-tetrazol-1-yl)ethan-1-one
SA23-1085 Screening compound: 1-(3-{2-[(dimethylamino)methyl]-4,4-difluoropyrrolidin-1-yl}azetidin-1-yl)-2-(1H-1,2,3,4-tetrazol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA23-1085
1-(3-{2-[(dimethylamino)methyl]-4,4-difluoropyrrolidin-1-yl}azetidin-1-yl)-2-(1H-1,2,3,4-tetrazol-1-yl)ethan-1-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

SA23-1085

Molecular Formula

C13H21F2N7O (C13 H21 F2 N7 O)

Compound Name

1-(3-{2-[(dimethylamino)methyl]-4,4-difluoropyrrolidin-1-yl}azetidin-1-yl)-2-(1H-1,2,3,4-tetrazol-1-yl)ethan-1-one

IUPAC name

1-{3-[(2S)-2-[(dimethylamino)methyl]-44-difluoropyrrolidin-1-yl]azetidin-1-yl}-2-(1H-1234-tetrazol-1-yl)ethan-1-one

SMILES

CN(C)C[C@H](CC(C1)(F)F)N1C(C1)CN1C(Cn1nnnc1)=O

InChI

InChI=1S/C13H21F2N7O/c1-19(2)4-10-3-13(14,15)8-22(10)11-5-20(6-11)12(23)7-21-9-16-17-18-21/h9-11H,3-8H2,1-2H3/t10-/m1/s1

InChI Key

OBDFWVISNUWERX-SNVBAGLBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.586

Distribution Coefficient, logD

-0.592

Water Solubility, LogSw

0.02

Polar Surface Area

63.668

Acid Dissociation Constant (pKa)

16.41

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

84.61

SA23-1085 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Nuclear receptors
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with SA23-1085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA23-1085?
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What is the minimum amount of SA23-1085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA23-1085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA23-1085
  • 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 SA23-1085 available by request