SA99-1235 Screening compound: 4-(2-methoxyethyl)-1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide

SA99-1235 Screening compound: 4-(2-methoxyethyl)-1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide
SA99-1235 Screening compound: 4-(2-methoxyethyl)-1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA99-1235
4-(2-methoxyethyl)-1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-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

SA99-1235

Molecular Formula

C21H31N3O3 (C21 H31 N3 O3)

Compound Name

4-(2-methoxyethyl)-1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide

IUPAC name

4-(2-methoxyethyl)-1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide

SMILES

COCCC(CC1)(CCN1C(C1)CN1C(CCc1ccccc1)=O)C(N)=O

InChI

InChI=1S/C21H31N3O3/c1-27-14-11-21(20(22)26)9-12-23(13-10-21)18-15-24(16-18)19(25)8-7-17-5-3-2-4-6-17/h2-6,18H,7-16H2,1H3,(H2,22,26)

InChI Key

HHEMWEVDVJWCBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32244997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.125

Distribution Coefficient, logD

-0.874

Water Solubility, LogSw

-1.55

Polar Surface Area

62.052

Acid Dissociation Constant (pKa)

14.47

Base Dissociation Constant (pKb)

9.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

SA99-1235 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with SA99-1235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA99-1235?
Check Price and Availability of SA99-1235, 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 SA99-1235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA99-1235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA99-1235
  • 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 SA99-1235 available by request