SA24-1404 Screening compound: 3-{3-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]azetidine-1-carbonyl}benzonitrile

SA24-1404 Screening compound: 3-{3-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]azetidine-1-carbonyl}benzonitrile
SA24-1404 Screening compound: 3-{3-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]azetidine-1-carbonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound SA24-1404
3-{3-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]azetidine-1-carbonyl}benzonitrile

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

SA24-1404

Molecular Formula

C16H17F2N3O2 (C16 H17 F2 N3 O2)

Compound Name

3-{3-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]azetidine-1-carbonyl}benzonitrile

IUPAC name

3-{3-[(2S)-44-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]azetidine-1-carbonyl}benzonitrile

SMILES

N#Cc1cccc(C(N(C2)CC2N(C2)[C@H](CO)CC2(F)F)=O)c1

InChI

InChI=1S/C16H17F2N3O2/c17-16(18)5-13(9-22)21(10-16)14-7-20(8-14)15(23)12-3-1-2-11(4-12)6-19/h1-4,13-14,22H,5,7-10H2/t13-/m1/s1

InChI Key

GRHUQUZWLGHAQI-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.674

Distribution Coefficient, logD

0.674

Water Solubility, LogSw

-1.60

Polar Surface Area

54.295

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

4.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SA24-1404 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA24-1404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA24-1404?
Check Price and Availability of SA24-1404, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SA24-1404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA24-1404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA24-1404
  • 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 SA24-1404 available by request