D295-0177 Screening compound: 8-{[(2,3-dihydro-1,4-benzodioxin-6-yl)(ethyl)amino]methyl}-2H,3H,6H,7H-[1,4]dioxino[2,3-g]quinolin-7-one

D295-0177 Screening compound: 8-{[(2,3-dihydro-1,4-benzodioxin-6-yl)(ethyl)amino]methyl}-2H,3H,6H,7H-[1,4]dioxino[2,3-g]quinolin-7-one
D295-0177 Screening compound: 8-{[(2,3-dihydro-1,4-benzodioxin-6-yl)(ethyl)amino]methyl}-2H,3H,6H,7H-[1,4]dioxino[2,3-g]quinolin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D295-0177
8-{[(2,3-dihydro-1,4-benzodioxin-6-yl)(ethyl)amino]methyl}-2H,3H,6H,7H-[1,4]dioxino[2,3-g]quinolin-7-one

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

D295-0177

Molecular Formula

C22H22N2O5 (C22 H22 N2 O5)

Compound Name

8-{[(2,3-dihydro-1,4-benzodioxin-6-yl)(ethyl)amino]methyl}-2H,3H,6H,7H-[1,4]dioxino[2,3-g]quinolin-7-one

IUPAC name

8-{[(23-dihydro-14-benzodioxin-6-yl)(ethyl)amino]methyl}-2H3H6H7H-[14]dioxino[23-g]quinolin-7-one

SMILES

CCN(CC1=Cc(cc2OCCOc2c2)c2NC1=O)c(cc1)cc2c1OCCO2

InChI

InChI=1S/C22H22N2O5/c1-2-24(16-3-4-18-20(11-16)28-6-5-26-18)13-15-9-14-10-19-21(29-8-7-27-19)12-17(14)23-22(15)25/h3-4,9-12H,2,5-8,13H2,1H3,(H,23,25)

InChI Key

FMWXTYJZYFHWCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11048451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.448

Distribution Coefficient, logD

1.447

Water Solubility, LogSw

-2.41

Polar Surface Area

59.502

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

7.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D295-0177 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D295-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D295-0177?
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What is the minimum amount of D295-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D295-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D295-0177
  • 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 D295-0177 available by request