C645-0272 Screening compound: 3-(4-methoxyphenyl)-5-(4-methylbenzyl)-5H-[1,3]dioxolo[4,5-g]pyrazolo[4,3-c]quinoline

C645-0272 Screening compound: 3-(4-methoxyphenyl)-5-(4-methylbenzyl)-5H-[1,3]dioxolo[4,5-g]pyrazolo[4,3-c]quinoline
C645-0272 Screening compound: 3-(4-methoxyphenyl)-5-(4-methylbenzyl)-5H-[1,3]dioxolo[4,5-g]pyrazolo[4,3-c]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C645-0272
3-(4-methoxyphenyl)-5-(4-methylbenzyl)-5H-[1,3]dioxolo[4,5-g]pyrazolo[4,3-c]quinoline

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

C645-0272

Molecular Formula

C26H21N3O3 (C26 H21 N3 O3)

Compound Name

3-(4-methoxyphenyl)-5-(4-methylbenzyl)-5H-[1,3]dioxolo[4,5-g]pyrazolo[4,3-c]quinoline

IUPAC name

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

SMILES

Cc1ccc(CN(C=C2C(c3c4)=NN=C2c(cc2)ccc2OC)c3cc2c4OCO2)cc1

InChI

InChI=1S/C26H21N3O3/c1-16-3-5-17(6-4-16)13-29-14-21-25(18-7-9-19(30-2)10-8-18)27-28-26(21)20-11-23-24(12-22(20)29)32-15-31-23/h3-12,14H,13,15H2,1-2H3

InChI Key

LFHJBMVTPNFDNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05717917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.086

Distribution Coefficient, logD

5.043

Water Solubility, LogSw

-4.92

Polar Surface Area

44.987

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C645-0272 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C645-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C645-0272?
Check Price and Availability of C645-0272, 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 C645-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C645-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C645-0272
  • 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 C645-0272 available by request