8104-04425 Screening compound: 4-amino-N-[2-({[2-(benzyloxy)naphthalen-1-yl]methyl}amino)ethyl]-1,2,5-oxadiazole-3-carboxamide

8104-04425 Screening compound: 4-amino-N-[2-({[2-(benzyloxy)naphthalen-1-yl]methyl}amino)ethyl]-1,2,5-oxadiazole-3-carboxamide
8104-04425 Screening compound: 4-amino-N-[2-({[2-(benzyloxy)naphthalen-1-yl]methyl}amino)ethyl]-1,2,5-oxadiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8104-04425
4-amino-N-[2-({[2-(benzyloxy)naphthalen-1-yl]methyl}amino)ethyl]-1,2,5-oxadiazole-3-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

8104-04425

Molecular Formula

C23H23N5O3 (C23 H23 N5 O3)

Compound Name

4-amino-N-[2-({[2-(benzyloxy)naphthalen-1-yl]methyl}amino)ethyl]-1,2,5-oxadiazole-3-carboxamide

IUPAC name

4-amino-N-[2-({[2-(benzyloxy)naphthalen-1-yl]methyl}amino)ethyl]-125-oxadiazole-3-carboxamide

SMILES

Nc1nonc1C(NCCNCc(c1ccccc1cc1)c1OCc1ccccc1)=O

InChI

InChI=1S/C23H23N5O3/c24-22-21(27-31-28-22)23(29)26-13-12-25-14-19-18-9-5-4-8-17(18)10-11-20(19)30-15-16-6-2-1-3-7-16/h1-11,25H,12-15H2,(H2,24,28)(H,26,29)

InChI Key

DKZSQMVBGWORRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07406582

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

417.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.985

Distribution Coefficient, logD

2.665

Water Solubility, LogSw

-3.51

Polar Surface Area

100.500

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

8104-04425 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8104-04425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8104-04425?
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What is the minimum amount of 8104-04425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8104-04425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8104-04425
  • 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 8104-04425 available by request