Y600-4413 Screening compound: N-1-adamantyl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide

Y600-4413 Screening compound: N-1-adamantyl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
Y600-4413 Screening compound: N-1-adamantyl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-4413
N-1-adamantyl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide

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

Y600-4413

Molecular Formula

C23H33N3O (C23 H33 N3 O)

Compound Name

N-1-adamantyl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide

IUPAC name

4-(25-dimethylphenyl)-N-[(3R5S7s)-adamantan-1-yl]piperazine-1-carboxamide

SMILES

Cc1cc(N(CC2)CCN2C(NC2(C[C@H](C3)C4)C[C@H]4C[C@H]3C2)=O)c(C)cc1

InChI

InChI=1S/C23H33N3O/c1-16-3-4-17(2)21(9-16)25-5-7-26(8-6-25)22(27)24-23-13-18-10-19(14-23)12-20(11-18)15-23/h3-4,9,18-20H,5-8,10-15H2,1-2H3,(H,24,27)

InChI Key

NAOHVAYYJVFFLC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.53

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.262

Distribution Coefficient, logD

5.257

Water Solubility, LogSw

-5.15

Polar Surface Area

29.685

Acid Dissociation Constant (pKa)

15.80

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.57

Y600-4413 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y600-4413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-4413?
Check Price and Availability of Y600-4413, 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 Y600-4413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-4413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-4413
  • 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 Y600-4413 available by request