8013-3256 Screening compound: 2-[methyl(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]benzoic acid

8013-3256 Screening compound: 2-[methyl(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]benzoic acid
8013-3256 Screening compound: 2-[methyl(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3256
2-[methyl(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]benzoic acid

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

8013-3256

Molecular Formula

C18H26N2O3 (C18 H26 N2 O3)

Compound Name

2-[methyl(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]benzoic acid

IUPAC name

2-[methyl(2266-tetramethylpiperidin-4-yl)carbamoyl]benzoic acid

SMILES

CC(C)(C1)NC(C)(C)CC1N(C)C(c(cccc1)c1C(O)=O)=O

InChI

InChI=1S/C18H26N2O3/c1-17(2)10-12(11-18(3,4)19-17)20(5)15(21)13-8-6-7-9-14(13)16(22)23/h6-9,12,19H,10-11H2,1-5H3,(H,22,23)

InChI Key

PSUJDBREMSVUIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766036

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

318.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.645

Distribution Coefficient, logD

1.645

Water Solubility, LogSw

-2.34

Polar Surface Area

54.970

Acid Dissociation Constant (pKa)

3.57

Base Dissociation Constant (pKb)

10.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

8013-3256 in Drug Discovery

Included in Screening Libraries

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

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

KRAS-Targeted Library (16000 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with 8013-3256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3256?
Check Price and Availability of 8013-3256, 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 8013-3256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3256
  • 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 8013-3256 available by request