C645-0472 Screening compound: 2-{[3-(4-ethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]pyrazolo[4,3-c]quinolin-5-yl]methyl}phenyl methyl ether

C645-0472 Screening compound: 2-{[3-(4-ethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]pyrazolo[4,3-c]quinolin-5-yl]methyl}phenyl methyl ether
C645-0472 Screening compound: 2-{[3-(4-ethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]pyrazolo[4,3-c]quinolin-5-yl]methyl}phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound C645-0472
2-{[3-(4-ethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]pyrazolo[4,3-c]quinolin-5-yl]methyl}phenyl methyl ether

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

C645-0472

Molecular Formula

C27H23N3O4 (C27 H23 N3 O4)

Compound Name

2-{[3-(4-ethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]pyrazolo[4,3-c]quinolin-5-yl]methyl}phenyl methyl ether

IUPAC name

5-(4-ethoxyphenyl)-8-[(2-methoxyphenyl)methyl]-1214-dioxa-348-triazatetracyclo[7.7.0.0^{26}.0^{1115}]hexadeca-1(16)246911(15)-hexaene

SMILES

CCOc(cc1)ccc1C(C1=CN(Cc(cccc2)c2OC)c2c3)=NN=C1c2cc1c3OCO1

InChI

InChI=1S/C27H23N3O4/c1-3-32-19-10-8-17(9-11-19)26-21-15-30(14-18-6-4-5-7-23(18)31-2)22-13-25-24(33-16-34-25)12-20(22)27(21)29-28-26/h4-13,15H,3,14,16H2,1-2H3

InChI Key

TWQFTUADOLYEHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05717681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.336

Distribution Coefficient, logD

5.292

Water Solubility, LogSw

-5.43

Polar Surface Area

52.197

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C645-0472 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C645-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C645-0472?
Check Price and Availability of C645-0472, 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 C645-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C645-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C645-0472
  • 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 C645-0472 available by request