SA24-0035 Screening compound: 1-{3-[(2S)-4,4-DIFLUORO-2-(HYDROXYMETHYL)TETRAHYDRO-1H-PYRROL-1-YL]-1-AZETANYL}-2-(4-FLUOROPHENOXY)-1-ETHANONE

SA24-0035 Screening compound: 1-{3-[(2S)-4,4-DIFLUORO-2-(HYDROXYMETHYL)TETRAHYDRO-1H-PYRROL-1-YL]-1-AZETANYL}-2-(4-FLUOROPHENOXY)-1-ETHANONE
SA24-0035 Screening compound: 1-{3-[(2S)-4,4-DIFLUORO-2-(HYDROXYMETHYL)TETRAHYDRO-1H-PYRROL-1-YL]-1-AZETANYL}-2-(4-FLUOROPHENOXY)-1-ETHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound SA24-0035
1-{3-[(2S)-4,4-DIFLUORO-2-(HYDROXYMETHYL)TETRAHYDRO-1H-PYRROL-1-YL]-1-AZETANYL}-2-(4-FLUOROPHENOXY)-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

SA24-0035

Molecular Formula

C16H19F3N2O3 (C16 H19 F3 N2 O3)

Compound Name

1-{3-[(2S)-4,4-DIFLUORO-2-(HYDROXYMETHYL)TETRAHYDRO-1H-PYRROL-1-YL]-1-AZETANYL}-2-(4-FLUOROPHENOXY)-1-ETHANONE

IUPAC name

1-{3-[(2S)-44-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]azetidin-1-yl}-2-(4-fluorophenoxy)ethan-1-one

SMILES

OC[C@H](CC(C1)(F)F)N1C(C1)CN1C(COc(cc1)ccc1F)=O

InChI

InChI=1S/C16H19F3N2O3/c17-11-1-3-14(4-2-11)24-9-15(23)20-6-13(7-20)21-10-16(18,19)5-12(21)8-22/h1-4,12-13,22H,5-10H2/t12-/m0/s1

InChI Key

TZDWQHKYCOCRHY-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.979

Distribution Coefficient, logD

0.978

Water Solubility, LogSw

-1.52

Polar Surface Area

44.211

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.25

SA24-0035 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with SA24-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA24-0035?
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What is the minimum amount of SA24-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA24-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA24-0035
  • 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 SA24-0035 available by request