Y032-2004 Screening compound: N-[4-(benzoylamino)-2,5-dimethoxyphenyl]-2-phenyl-4-quinolinecarboxamide

Y032-2004 Screening compound: N-[4-(benzoylamino)-2,5-dimethoxyphenyl]-2-phenyl-4-quinolinecarboxamide
Y032-2004 Screening compound: N-[4-(benzoylamino)-2,5-dimethoxyphenyl]-2-phenyl-4-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-2004
N-[4-(benzoylamino)-2,5-dimethoxyphenyl]-2-phenyl-4-quinolinecarboxamide

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

Y032-2004

Molecular Formula

C31H25N3O4 (C31 H25 N3 O4)

Compound Name

N-[4-(benzoylamino)-2,5-dimethoxyphenyl]-2-phenyl-4-quinolinecarboxamide

IUPAC name

N-(4-benzamido-25-dimethoxyphenyl)-2-phenylquinoline-4-carboxamide

SMILES

COc(c(NC(c1ccccc1)=O)c1)cc(NC(c2cc(-c3ccccc3)nc3ccccc23)=O)c1OC

InChI

InChI=1S/C31H25N3O4/c1-37-28-19-27(29(38-2)18-26(28)33-30(35)21-13-7-4-8-14-21)34-31(36)23-17-25(20-11-5-3-6-12-20)32-24-16-10-9-15-22(23)24/h3-19H,1-2H3,(H,33,35)(H,34,36)

InChI Key

PIAPCLDNONTVRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03575730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.225

Distribution Coefficient, logD

6.203

Water Solubility, LogSw

-5.85

Polar Surface Area

68.345

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.45

Y032-2004 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y032-2004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-2004?
Check Price and Availability of Y032-2004, 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 Y032-2004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-2004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-2004
  • 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 Y032-2004 available by request