8010-7840 Screening compound: N~1~-{2-[4-(1-adamantylcarbonyl)piperazino]ethyl}-1-adamantanecarboxamide

8010-7840 Screening compound: N~1~-{2-[4-(1-adamantylcarbonyl)piperazino]ethyl}-1-adamantanecarboxamide
8010-7840 Screening compound: N~1~-{2-[4-(1-adamantylcarbonyl)piperazino]ethyl}-1-adamantanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-7840
N~1~-{2-[4-(1-adamantylcarbonyl)piperazino]ethyl}-1-adamantanecarboxamide

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

8010-7840

Molecular Formula

C28H43N3O2 (C28 H43 N3 O2)

Compound Name

N~1~-{2-[4-(1-adamantylcarbonyl)piperazino]ethyl}-1-adamantanecarboxamide

IUPAC name

N-{2-[4-(adamantane-1-carbonyl)piperazin-1-yl]ethyl}adamantane-1-carboxamide

SMILES

O=C(C1(CC(C2)C3)CC3CC2C1)NCCN(CC1)CCN1C(C1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C28H43N3O2/c32-25(27-13-19-7-20(14-27)9-21(8-19)15-27)29-1-2-30-3-5-31(6-4-30)26(33)28-16-22-10-23(17-28)12-24(11-22)18-28/h19-24H,1-18H2,(H,29,32)

InChI Key

XVRONJKTMHDOEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02647222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.197

Distribution Coefficient, logD

5.065

Water Solubility, LogSw

-5.24

Polar Surface Area

44.999

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

92.86

8010-7840 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8010-7840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-7840?
Check Price and Availability of 8010-7840, 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 8010-7840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-7840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-7840
  • 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 8010-7840 available by request