Y501-1284 Screening compound: N-(2-adamantyl)-3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzamide

Y501-1284 Screening compound: N-(2-adamantyl)-3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Y501-1284 Screening compound: N-(2-adamantyl)-3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-1284
N-(2-adamantyl)-3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzamide

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

Y501-1284

Molecular Formula

C21H23BrN4O3 (C21 H23 BrN4 O3)

Compound Name

N-(2-adamantyl)-3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzamide

IUPAC name

N-(adamantan-2-yl)-3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzamide

SMILES

[O-][N+](c1nn(Cc2cc(C(NC3C4CC(C5)CC3CC5C4)=O)ccc2)cc1Br)=O

InChI

InChI=1S/C21H23BrN4O3/c22-18-11-25(24-20(18)26(28)29)10-12-2-1-3-15(5-12)21(27)23-19-16-6-13-4-14(8-16)9-17(19)7-13/h1-3,5,11,13-14,16-17,19H,4,6-10H2,(H,23,27)

InChI Key

GIPAKAYVBKGAME-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.220

Distribution Coefficient, logD

4.220

Water Solubility, LogSw

-4.38

Polar Surface Area

72.595

Acid Dissociation Constant (pKa)

13.77

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.38

Y501-1284 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y501-1284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-1284?
Check Price and Availability of Y501-1284, 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 Y501-1284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-1284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-1284
  • 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 Y501-1284 available by request