G964-0488 Screening compound: methyl 4-({4-[(3,5-dimethylpiperidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate

G964-0488 Screening compound: methyl 4-({4-[(3,5-dimethylpiperidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate
G964-0488 Screening compound: methyl 4-({4-[(3,5-dimethylpiperidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G964-0488
methyl 4-({4-[(3,5-dimethylpiperidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate

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

G964-0488

Molecular Formula

C22H33N3O3 (C22 H33 N3 O3)

Compound Name

methyl 4-({4-[(3,5-dimethylpiperidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate

IUPAC name

methyl 4-({4-[(35-dimethylpiperidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate

SMILES

CC1CN(CC(CC2)CCN2C(Nc(cc2)ccc2C(OC)=O)=O)CC(C)C1

InChI

InChI=1S/C22H33N3O3/c1-16-12-17(2)14-24(13-16)15-18-8-10-25(11-9-18)22(27)23-20-6-4-19(5-7-20)21(26)28-3/h4-7,16-18H,8-15H2,1-3H3,(H,23,27)

InChI Key

YCJZALWNAHHSPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15077392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.049

Distribution Coefficient, logD

1.021

Water Solubility, LogSw

-4.18

Polar Surface Area

50.481

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

10.43

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.60

G964-0488 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

SH2 Library (10483 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G964-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G964-0488?
Check Price and Availability of G964-0488, 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 G964-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G964-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G964-0488
  • 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 G964-0488 available by request