D560-0027 Screening compound: N~1~-(3-chloro-4-methoxyphenyl)-2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazol-1-yl)acetamide

D560-0027 Screening compound: N~1~-(3-chloro-4-methoxyphenyl)-2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazol-1-yl)acetamide
D560-0027 Screening compound: N~1~-(3-chloro-4-methoxyphenyl)-2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D560-0027
N~1~-(3-chloro-4-methoxyphenyl)-2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazol-1-yl)acetamide

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

D560-0027

Molecular Formula

C18H16ClN3O4 (C18 H16 ClN3 O4)

Compound Name

N~1~-(3-chloro-4-methoxyphenyl)-2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazol-1-yl)acetamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-2-{1013-dioxa-46-diazatricyclo[7.4.0.0^{37}]trideca-1(9)257-tetraen-4-yl}acetamide

SMILES

COc(ccc(NC(Cn1c(cc2OCCOc2c2)c2nc1)=O)c1)c1Cl

InChI

InChI=1S/C18H16ClN3O4/c1-24-15-3-2-11(6-12(15)19)21-18(23)9-22-10-20-13-7-16-17(8-14(13)22)26-5-4-25-16/h2-3,6-8,10H,4-5,9H2,1H3,(H,21,23)

InChI Key

UEZYDVIHPQTWNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27592124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.804

Distribution Coefficient, logD

1.750

Water Solubility, LogSw

-2.76

Polar Surface Area

57.026

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

6.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D560-0027 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D560-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D560-0027?
Check Price and Availability of D560-0027, 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 D560-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D560-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D560-0027
  • 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 D560-0027 available by request