P505-0537 Screening compound: N~3~-(2-furylmethyl)-1-methyl-4-oxo-1,4-dihydro-3-cinnolinecarboxamide

P505-0537 Screening compound: N~3~-(2-furylmethyl)-1-methyl-4-oxo-1,4-dihydro-3-cinnolinecarboxamide
P505-0537 Screening compound: N~3~-(2-furylmethyl)-1-methyl-4-oxo-1,4-dihydro-3-cinnolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P505-0537
N~3~-(2-furylmethyl)-1-methyl-4-oxo-1,4-dihydro-3-cinnolinecarboxamide

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

P505-0537

Molecular Formula

C15H13N3O3 (C15 H13 N3 O3)

Compound Name

N~3~-(2-furylmethyl)-1-methyl-4-oxo-1,4-dihydro-3-cinnolinecarboxamide

IUPAC name

n/a

SMILES

CN(c1c2cccc1)N=C(C(NCc1ccco1)=O)C2=O

InChI

InChI=1S/C15H13N3O3/c1-18-12-7-3-2-6-11(12)14(19)13(17-18)15(20)16-9-10-5-4-8-21-10/h2-8H,9H2,1H3,(H,16,20)

InChI Key

HFIJNZCTEHLDET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27577031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.979

Distribution Coefficient, logD

1.979

Water Solubility, LogSw

-2.62

Polar Surface Area

58.942

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

P505-0537 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 P505-0537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P505-0537?
Check Price and Availability of P505-0537, 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 P505-0537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P505-0537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P505-0537
  • 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 P505-0537 available by request