SA99-0813 Screening compound: 4-(cyclopropylmethyl)-N1'-(3-methoxyphenyl)-[1,4'-bipiperidine]-1',4-dicarboxamide

SA99-0813 Screening compound: 4-(cyclopropylmethyl)-N1'-(3-methoxyphenyl)-[1,4'-bipiperidine]-1',4-dicarboxamide
SA99-0813 Screening compound: 4-(cyclopropylmethyl)-N1'-(3-methoxyphenyl)-[1,4'-bipiperidine]-1',4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA99-0813
4-(cyclopropylmethyl)-N1'-(3-methoxyphenyl)-[1,4'-bipiperidine]-1',4-dicarboxamide

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

SA99-0813

Molecular Formula

C23H34N4O3 (C23 H34 N4 O3)

Compound Name

4-(cyclopropylmethyl)-N1'-(3-methoxyphenyl)-[1,4'-bipiperidine]-1',4-dicarboxamide

IUPAC name

4-(cyclopropylmethyl)-N1'-(3-methoxyphenyl)-[14'-bipiperidine]-1'4-dicarboxamide

SMILES

COc1cccc(NC(N(CC2)CCC2N(CC2)CCC2(CC2CC2)C(N)=O)=O)c1

InChI

InChI=1S/C23H34N4O3/c1-30-20-4-2-3-18(15-20)25-22(29)27-11-7-19(8-12-27)26-13-9-23(10-14-26,21(24)28)16-17-5-6-17/h2-4,15,17,19H,5-14,16H2,1H3,(H2,24,28)(H,25,29)

InChI Key

ZJRROOOUDUWPNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32244518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.714

Distribution Coefficient, logD

-0.738

Water Solubility, LogSw

-3.22

Polar Surface Area

70.655

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

10.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.22

SA99-0813 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with SA99-0813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA99-0813?
Check Price and Availability of SA99-0813, 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 SA99-0813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA99-0813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA99-0813
  • 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 SA99-0813 available by request