C645-0202 Screening compound: 3-(3,4-dimethylphenyl)-5-(3-fluorobenzyl)-5H-[1,3]dioxolo[4,5-g]pyrazolo[4,3-c]quinoline

C645-0202 Screening compound: 3-(3,4-dimethylphenyl)-5-(3-fluorobenzyl)-5H-[1,3]dioxolo[4,5-g]pyrazolo[4,3-c]quinoline
C645-0202 Screening compound: 3-(3,4-dimethylphenyl)-5-(3-fluorobenzyl)-5H-[1,3]dioxolo[4,5-g]pyrazolo[4,3-c]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C645-0202
3-(3,4-dimethylphenyl)-5-(3-fluorobenzyl)-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

C645-0202

Molecular Formula

C26H20FN3O2 (C26 H20 FN3 O2)

Compound Name

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

IUPAC name

5-(34-dimethylphenyl)-8-[(3-fluorophenyl)methyl]-1214-dioxa-348-triazatetracyclo[7.7.0.0^{26}.0^{1115}]hexadeca-1(16)246911(15)-hexaene

SMILES

Cc(cc1)c(C)cc1C1=NN=C2c(cc3OCOc3c3)c3N(Cc3cccc(F)c3)C=C12

InChI

InChI=1S/C26H20FN3O2/c1-15-6-7-18(8-16(15)2)25-21-13-30(12-17-4-3-5-19(27)9-17)22-11-24-23(31-14-32-24)10-20(22)26(21)29-28-25/h3-11,13H,12,14H2,1-2H3

InChI Key

ZUXPFOZFRKJXIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14778872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.935

Distribution Coefficient, logD

5.764

Water Solubility, LogSw

-5.72

Polar Surface Area

37.443

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

7.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C645-0202 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C645-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C645-0202?
Check Price and Availability of C645-0202, 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 C645-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C645-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C645-0202
  • 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 C645-0202 available by request