SA23-0040 Screening compound: N-benzyl-3-{2-[(dimethylamino)methyl]-4,4-difluoropyrrolidin-1-yl}azetidine-1-carboxamide

SA23-0040 Screening compound: N-benzyl-3-{2-[(dimethylamino)methyl]-4,4-difluoropyrrolidin-1-yl}azetidine-1-carboxamide
SA23-0040 Screening compound: N-benzyl-3-{2-[(dimethylamino)methyl]-4,4-difluoropyrrolidin-1-yl}azetidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA23-0040
N-benzyl-3-{2-[(dimethylamino)methyl]-4,4-difluoropyrrolidin-1-yl}azetidine-1-carboxamide

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

SA23-0040

Molecular Formula

C18H26F2N4O (C18 H26 F2 N4 O)

Compound Name

N-benzyl-3-{2-[(dimethylamino)methyl]-4,4-difluoropyrrolidin-1-yl}azetidine-1-carboxamide

IUPAC name

N-benzyl-3-[(2S)-2-[(dimethylamino)methyl]-44-difluoropyrrolidin-1-yl]azetidine-1-carboxamide

SMILES

CN(C)C[C@H](CC(C1)(F)F)N1C(C1)CN1C(NCc1ccccc1)=O

InChI

InChI=1S/C18H26F2N4O/c1-22(2)10-15-8-18(19,20)13-24(15)16-11-23(12-16)17(25)21-9-14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3,(H,21,25)/t15-/m1/s1

InChI Key

YQRKFEDRGSAZOH-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.581

Distribution Coefficient, logD

1.567

Water Solubility, LogSw

-2.00

Polar Surface Area

34.154

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

5.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

SA23-0040 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with SA23-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA23-0040?
Check Price and Availability of SA23-0040, 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 SA23-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA23-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA23-0040
  • 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 SA23-0040 available by request