C645-0061 Screening compound: 4-(5-benzyl-8,9-dihydro-5H-[1,4]dioxino[2,3-g]pyrazolo[4,3-c]quinolin-3-yl)-2-methoxyphenyl methyl ether

C645-0061 Screening compound: 4-(5-benzyl-8,9-dihydro-5H-[1,4]dioxino[2,3-g]pyrazolo[4,3-c]quinolin-3-yl)-2-methoxyphenyl methyl ether
C645-0061 Screening compound: 4-(5-benzyl-8,9-dihydro-5H-[1,4]dioxino[2,3-g]pyrazolo[4,3-c]quinolin-3-yl)-2-methoxyphenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound C645-0061
4-(5-benzyl-8,9-dihydro-5H-[1,4]dioxino[2,3-g]pyrazolo[4,3-c]quinolin-3-yl)-2-methoxyphenyl 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

C645-0061

Molecular Formula

C27H23N3O4 (C27 H23 N3 O4)

Compound Name

4-(5-benzyl-8,9-dihydro-5H-[1,4]dioxino[2,3-g]pyrazolo[4,3-c]quinolin-3-yl)-2-methoxyphenyl methyl ether

IUPAC name

17-benzyl-14-(34-dimethoxyphenyl)-47-dioxa-121317-triazatetracyclo[8.7.0.0^{38}.0^{1115}]heptadeca-13(8)9111315-hexaene

SMILES

COc(ccc(C(C1=CN(Cc2ccccc2)c2c3)=NN=C1c2cc1c3OCCO1)c1)c1OC

InChI

InChI=1S/C27H23N3O4/c1-31-22-9-8-18(12-23(22)32-2)26-20-16-30(15-17-6-4-3-5-7-17)21-14-25-24(33-10-11-34-25)13-19(21)27(20)29-28-26/h3-9,12-14,16H,10-11,15H2,1-2H3

InChI Key

OXTPRJTVUVQWCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14778851

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

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.377

Distribution Coefficient, logD

3.344

Water Solubility, LogSw

-3.72

Polar Surface Area

51.411

Acid Dissociation Constant (pKa)

29.88

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C645-0061 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C645-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C645-0061?
Check Price and Availability of C645-0061, 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 C645-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C645-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C645-0061
  • 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 C645-0061 available by request