D560-0335 Screening compound: N~1~-[2-(4-chlorophenoxy)ethyl]-2-(2-ethyl-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazol-1-yl)acetamide

D560-0335 Screening compound: N~1~-[2-(4-chlorophenoxy)ethyl]-2-(2-ethyl-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazol-1-yl)acetamide
D560-0335 Screening compound: N~1~-[2-(4-chlorophenoxy)ethyl]-2-(2-ethyl-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 D560-0335
N~1~-[2-(4-chlorophenoxy)ethyl]-2-(2-ethyl-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

D560-0335

Molecular Formula

C21H22ClN3O4 (C21 H22 ClN3 O4)

Compound Name

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

IUPAC name

N-[2-(4-chlorophenoxy)ethyl]-2-{5-ethyl-1013-dioxa-46-diazatricyclo[7.4.0.0^{37}]trideca-1(9)257-tetraen-4-yl}acetamide

SMILES

CCc1nc(cc2OCCOc2c2)c2n1CC(NCCOc(cc1)ccc1Cl)=O

InChI

InChI=1S/C21H22ClN3O4/c1-2-20-24-16-11-18-19(29-10-9-28-18)12-17(16)25(20)13-21(26)23-7-8-27-15-5-3-14(22)4-6-15/h3-6,11-12H,2,7-10,13H2,1H3,(H,23,26)

InChI Key

HRJWAPRVBAFZOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27592266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.903

Distribution Coefficient, logD

1.789

Water Solubility, LogSw

-3.51

Polar Surface Area

58.697

Acid Dissociation Constant (pKa)

14.42

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D560-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D560-0335?
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What is the minimum amount of D560-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D560-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D560-0335
  • 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 D560-0335 available by request