Y505-4454 Screening compound: 2-({(E)-2-cyano-3-[1-(1-naphthylmethyl)-1H-indol-3-yl]-2-propenoyl}amino)benzoic acid

Y505-4454 Screening compound: 2-({(E)-2-cyano-3-[1-(1-naphthylmethyl)-1H-indol-3-yl]-2-propenoyl}amino)benzoic acid
Y505-4454 Screening compound: 2-({(E)-2-cyano-3-[1-(1-naphthylmethyl)-1H-indol-3-yl]-2-propenoyl}amino)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y505-4454
2-({(E)-2-cyano-3-[1-(1-naphthylmethyl)-1H-indol-3-yl]-2-propenoyl}amino)benzoic acid

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

Y505-4454

Molecular Formula

C30H21N3O3 (C30 H21 N3 O3)

Compound Name

2-({(E)-2-cyano-3-[1-(1-naphthylmethyl)-1H-indol-3-yl]-2-propenoyl}amino)benzoic acid

IUPAC name

n/a

SMILES

N#C/C(/C(Nc(cccc1)c1C(O)=O)=O)=C\c1cn(Cc2cccc3ccccc23)c2c1cccc2

InChI

InChI=1S/C30H21N3O3/c31-17-22(29(34)32-27-14-5-3-13-26(27)30(35)36)16-23-19-33(28-15-6-4-12-25(23)28)18-21-10-7-9-20-8-1-2-11-24(20)21/h1-16,19H,18H2,(H,32,34)(H,35,36)

InChI Key

XDFRZTOFMWVIAO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.52

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

6.490

Distribution Coefficient, logD

2.073

Water Solubility, LogSw

-6.80

Polar Surface Area

69.557

Acid Dissociation Constant (pKa)

2.98

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

2.00

References: we are preparing a list of scientific research reports with Y505-4454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y505-4454?
Check Price and Availability of Y505-4454, 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 Y505-4454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y505-4454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y505-4454
  • 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 Y505-4454 available by request