L476-0995 Screening compound: ethyl 4-[(2-{4-[(3,5-dimethylpiperidino)carbonyl]piperidino}butanoyl)amino]benzoate

L476-0995 Screening compound: ethyl 4-[(2-{4-[(3,5-dimethylpiperidino)carbonyl]piperidino}butanoyl)amino]benzoate
L476-0995 Screening compound: ethyl 4-[(2-{4-[(3,5-dimethylpiperidino)carbonyl]piperidino}butanoyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L476-0995
ethyl 4-[(2-{4-[(3,5-dimethylpiperidino)carbonyl]piperidino}butanoyl)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

L476-0995

Molecular Formula

C26H39N3O4 (C26 H39 N3 O4)

Compound Name

ethyl 4-[(2-{4-[(3,5-dimethylpiperidino)carbonyl]piperidino}butanoyl)amino]benzoate

IUPAC name

ethyl 4-{2-[4-(35-dimethylpiperidine-1-carbonyl)piperidin-1-yl]butanamido}benzoate

SMILES

CCC(C(Nc(cc1)ccc1C(OCC)=O)=O)N(CC1)CCC1C(N1CC(C)CC(C)C1)=O

InChI

InChI=1S/C26H39N3O4/c1-5-23(24(30)27-22-9-7-21(8-10-22)26(32)33-6-2)28-13-11-20(12-14-28)25(31)29-16-18(3)15-19(4)17-29/h7-10,18-20,23H,5-6,11-17H2,1-4H3,(H,27,30)

InChI Key

BIHPRYJTJDCLPS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.356

Distribution Coefficient, logD

3.921

Water Solubility, LogSw

-4.07

Polar Surface Area

63.859

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

7.64

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

65.39

L476-0995 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L476-0995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L476-0995?
Check Price and Availability of L476-0995, 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 L476-0995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L476-0995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L476-0995
  • 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 L476-0995 available by request