0132-0020 Screening compound: N1,N3-bis(3-methylphenyl)adamantane-1,3-dicarboxamide

0132-0020 Screening compound: N1,N3-bis(3-methylphenyl)adamantane-1,3-dicarboxamide
0132-0020 Screening compound: N1,N3-bis(3-methylphenyl)adamantane-1,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0132-0020
N1,N3-bis(3-methylphenyl)adamantane-1,3-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

0132-0020

Molecular Formula

C26H30N2O2 (C26 H30 N2 O2)

Compound Name

N1,N3-bis(3-methylphenyl)adamantane-1,3-dicarboxamide

IUPAC name

N1N3-bis(3-methylphenyl)adamantane-13-dicarboxamide

SMILES

Cc1cccc(NC(C(CC(C2)C3)(CC2C2)CC23C(Nc2cc(C)ccc2)=O)=O)c1

InChI

InChI=1S/C26H30N2O2/c1-17-5-3-7-21(9-17)27-23(29)25-12-19-11-20(13-25)15-26(14-19,16-25)24(30)28-22-8-4-6-18(2)10-22/h3-10,19-20H,11-16H2,1-2H3,(H,27,29)(H,28,30)

InChI Key

BZXPCGUFVGSVSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.445

Distribution Coefficient, logD

6.445

Water Solubility, LogSw

-5.65

Polar Surface Area

46.454

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

0132-0020 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 0132-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0132-0020?
Check Price and Availability of 0132-0020, 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 0132-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0132-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0132-0020
  • 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 0132-0020 available by request