8017-1964 Screening compound: 2-[4-(1-adamantyl)piperazino]-2-oxoethyl 2-(benzoylamino)-4-methylpentanoate

8017-1964 Screening compound: 2-[4-(1-adamantyl)piperazino]-2-oxoethyl 2-(benzoylamino)-4-methylpentanoate
8017-1964 Screening compound: 2-[4-(1-adamantyl)piperazino]-2-oxoethyl 2-(benzoylamino)-4-methylpentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1964
2-[4-(1-adamantyl)piperazino]-2-oxoethyl 2-(benzoylamino)-4-methylpentanoate

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

8017-1964

Molecular Formula

C29H41N3O4 (C29 H41 N3 O4)

Compound Name

2-[4-(1-adamantyl)piperazino]-2-oxoethyl 2-(benzoylamino)-4-methylpentanoate

IUPAC name

2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl 4-methyl-2-(phenylformamido)pentanoate

SMILES

CC(C)CC(C(OCC(N(CC1)CCN1C1(CC(C2)C3)CC3CC2C1)=O)=O)NC(c1ccccc1)=O

InChI

InChI=1S/C29H41N3O4/c1-20(2)12-25(30-27(34)24-6-4-3-5-7-24)28(35)36-19-26(33)31-8-10-32(11-9-31)29-16-21-13-22(17-29)15-23(14-21)18-29/h3-7,20-23,25H,8-19H2,1-2H3,(H,30,34)/t21?,22?,23?,25-,29?/m0/s1

InChI Key

PBIJRJACBQAXKZ-JIKPSSBFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.135

Distribution Coefficient, logD

4.066

Water Solubility, LogSw

-4.11

Polar Surface Area

64.756

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

6.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.97

8017-1964 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

GABA Library (7115 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Eye
  • Cardiovascular
  • Metabolic
  • 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 8017-1964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1964?
Check Price and Availability of 8017-1964, 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 8017-1964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1964
  • 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 8017-1964 available by request