Y030-0603 Screening compound: N,N-bis(2-pyridylmethyl)isophthalamide

Y030-0603 Screening compound: N,N-bis(2-pyridylmethyl)isophthalamide
Y030-0603 Screening compound: N,N-bis(2-pyridylmethyl)isophthalamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-0603
N,N-bis(2-pyridylmethyl)isophthalamide

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

Y030-0603

Molecular Formula

C20H18N4O2 (C20 H18 N4 O2)

Compound Name

N,N-bis(2-pyridylmethyl)isophthalamide

IUPAC name

N1N3-bis[(pyridin-2-yl)methyl]benzene-13-dicarboxamide

SMILES

O=C(c1cccc(C(NCc2ncccc2)=O)c1)NCc1ncccc1

InChI

InChI=1S/C20H18N4O2/c25-19(23-13-17-8-1-3-10-21-17)15-6-5-7-16(12-15)20(26)24-14-18-9-2-4-11-22-18/h1-12H,13-14H2,(H,23,25)(H,24,26)

InChI Key

BCSQPSJHVFGECU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01212521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.425

Distribution Coefficient, logD

1.425

Water Solubility, LogSw

-1.96

Polar Surface Area

68.151

Acid Dissociation Constant (pKa)

10.58

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

Y030-0603 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

STING Agonist Library (5895 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y030-0603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-0603?
Check Price and Availability of Y030-0603, 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 Y030-0603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-0603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-0603
  • 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 Y030-0603 available by request