Y205-7797 Screening compound: 3,5-dimethyl-N~1~-[3-(1H-1,2,3,4-tetraazol-5-yl)phenyl]-1-adamantanecarboxamide

Y205-7797 Screening compound: 3,5-dimethyl-N~1~-[3-(1H-1,2,3,4-tetraazol-5-yl)phenyl]-1-adamantanecarboxamide
Y205-7797 Screening compound: 3,5-dimethyl-N~1~-[3-(1H-1,2,3,4-tetraazol-5-yl)phenyl]-1-adamantanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-7797
3,5-dimethyl-N~1~-[3-(1H-1,2,3,4-tetraazol-5-yl)phenyl]-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

Y205-7797

Molecular Formula

C20H25N5O (C20 H25 N5 O)

Compound Name

3,5-dimethyl-N~1~-[3-(1H-1,2,3,4-tetraazol-5-yl)phenyl]-1-adamantanecarboxamide

IUPAC name

35-dimethyl-N-[3-(1H-1234-tetrazol-5-yl)phenyl]adamantane-1-carboxamide

SMILES

CC(CC(C1)C2)(CC1(C)C1)CC12C(Nc1cc(-c2nnn[nH]2)ccc1)=O

InChI

InChI=1S/C20H25N5O/c1-18-7-13-8-19(2,10-18)12-20(9-13,11-18)17(26)21-15-5-3-4-14(6-15)16-22-24-25-23-16/h3-6,13H,7-12H2,1-2H3,(H,21,26)(H,22,23,24,25)

InChI Key

MCGRYYFWPHUMFL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.445

Distribution Coefficient, logD

1.293

Water Solubility, LogSw

-4.44

Polar Surface Area

73.476

Acid Dissociation Constant (pKa)

2.49

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

Y205-7797 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y205-7797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-7797?
Check Price and Availability of Y205-7797, 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 Y205-7797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-7797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-7797
  • 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 Y205-7797 available by request