Y041-5268 Screening compound: N-({BICYCLO[2.2.1]HEPT-5-EN-2-YL}METHYL)-4-METHYL-3-(1H-1,2,3,4-TETRAZOL-1-YL)BENZAMIDE

Y041-5268 Screening compound: N-({BICYCLO[2.2.1]HEPT-5-EN-2-YL}METHYL)-4-METHYL-3-(1H-1,2,3,4-TETRAZOL-1-YL)BENZAMIDE
Y041-5268 Screening compound: N-({BICYCLO[2.2.1]HEPT-5-EN-2-YL}METHYL)-4-METHYL-3-(1H-1,2,3,4-TETRAZOL-1-YL)BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5268
N-({BICYCLO[2.2.1]HEPT-5-EN-2-YL}METHYL)-4-METHYL-3-(1H-1,2,3,4-TETRAZOL-1-YL)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

Y041-5268

Molecular Formula

C17H19N5O (C17 H19 N5 O)

Compound Name

N-({BICYCLO[2.2.1]HEPT-5-EN-2-YL}METHYL)-4-METHYL-3-(1H-1,2,3,4-TETRAZOL-1-YL)BENZAMIDE

IUPAC name

n/a

SMILES

Cc(ccc(C(NCC(C1)C2C=CC1C2)=O)c1)c1-n1nnnc1

InChI

InChI=1S/C17H19N5O/c1-11-2-4-14(8-16(11)22-10-19-20-21-22)17(23)18-9-15-7-12-3-5-13(15)6-12/h2-5,8,10,12-13,15H,6-7,9H2,1H3,(H,18,23)

InChI Key

CQLOFQNDBXWBMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18176169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.726

Distribution Coefficient, logD

2.726

Water Solubility, LogSw

-3.10

Polar Surface Area

64.961

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

41.18

Y041-5268 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y041-5268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5268?
Check Price and Availability of Y041-5268, 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 Y041-5268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5268
  • 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 Y041-5268 available by request