D718-1806 Screening compound: N-(23-DIHYDRO-14-BENZODIOXIN-6-YL)-2-[5-(3-METHOXYPROPYL)-4-OXO-257-TRIAZATRICYCLO[6.4.0.0{26}]DODECA-1(12)6810-TETRAEN-3-YL]ACETAMIDE

D718-1806 Screening compound: N-(23-DIHYDRO-14-BENZODIOXIN-6-YL)-2-[5-(3-METHOXYPROPYL)-4-OXO-257-TRIAZATRICYCLO[6.4.0.0{26}]DODECA-1(12)6810-TETRAEN-3-YL]ACETAMIDE
D718-1806 Screening compound: N-(23-DIHYDRO-14-BENZODIOXIN-6-YL)-2-[5-(3-METHOXYPROPYL)-4-OXO-257-TRIAZATRICYCLO[6.4.0.0{26}]DODECA-1(12)6810-TETRAEN-3-YL]ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1806
N-(23-DIHYDRO-14-BENZODIOXIN-6-YL)-2-[5-(3-METHOXYPROPYL)-4-OXO-257-TRIAZATRICYCLO[6.4.0.0{26}]DODECA-1(12)6810-TETRAEN-3-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

D718-1806

Molecular Formula

C23H24N4O5 (C23 H24 N4 O5)

Compound Name

N-(23-DIHYDRO-14-BENZODIOXIN-6-YL)-2-[5-(3-METHOXYPROPYL)-4-OXO-257-TRIAZATRICYCLO[6.4.0.0{26}]DODECA-1(12)6810-TETRAEN-3-YL]ACETAMIDE

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-[5-(3-methoxypropyl)-4-oxo-257-triazatricyclo[6.4.0.0^{26}]dodeca-1(12)6810-tetraen-3-yl]acetamide

SMILES

COCCCN1c2nc(cccc3)c3n2C(CC(Nc(cc2)cc3c2OCCO3)=O)C1=O

InChI

InChI=1S/C23H24N4O5/c1-30-10-4-9-26-22(29)18(27-17-6-3-2-5-16(17)25-23(26)27)14-21(28)24-15-7-8-19-20(13-15)32-12-11-31-19/h2-3,5-8,13,18H,4,9-12,14H2,1H3,(H,24,28)/t18-/m0/s1

InChI Key

KZWPWEAOTUJPNU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD11852681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.764

Distribution Coefficient, logD

1.758

Water Solubility, LogSw

-2.36

Polar Surface Area

73.703

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

3.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

D718-1806 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D718-1806 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1806?
Check Price and Availability of D718-1806, 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 D718-1806 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1806
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1806
  • 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 D718-1806 available by request