8005-2458 Screening compound: N1,N3-bis(3,3,5-trimethylcyclohexyl)benzene-1,3-dicarboxamide

8005-2458 Screening compound: N1,N3-bis(3,3,5-trimethylcyclohexyl)benzene-1,3-dicarboxamide
8005-2458 Screening compound: N1,N3-bis(3,3,5-trimethylcyclohexyl)benzene-1,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-2458
N1,N3-bis(3,3,5-trimethylcyclohexyl)benzene-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

8005-2458

Molecular Formula

C26H40N2O2 (C26 H40 N2 O2)

Compound Name

N1,N3-bis(3,3,5-trimethylcyclohexyl)benzene-1,3-dicarboxamide

IUPAC name

N1N3-bis(335-trimethylcyclohexyl)benzene-13-dicarboxamide

SMILES

CC(C1)CC(C)(C)CC1NC(c1cccc(C(NC2CC(C)(C)CC(C)C2)=O)c1)=O

InChI

InChI=1S/C26H40N2O2/c1-17-10-21(15-25(3,4)13-17)27-23(29)19-8-7-9-20(12-19)24(30)28-22-11-18(2)14-26(5,6)16-22/h7-9,12,17-18,21-22H,10-11,13-16H2,1-6H3,(H,27,29)(H,28,30)

InChI Key

GEDYDMDWVRNOIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00340676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.62

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

5.476

Distribution Coefficient, logD

5.475

Water Solubility, LogSw

-5.52

Polar Surface Area

48.516

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

69.20

8005-2458 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8005-2458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-2458?
Check Price and Availability of 8005-2458, 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 8005-2458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-2458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-2458
  • 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 8005-2458 available by request