D641-0067 Screening compound: N-(2-ethoxyphenyl)-3-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide

D641-0067 Screening compound: N-(2-ethoxyphenyl)-3-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide
D641-0067 Screening compound: N-(2-ethoxyphenyl)-3-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D641-0067
N-(2-ethoxyphenyl)-3-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide

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

D641-0067

Molecular Formula

C26H26FN3O3 (C26 H26 FN3 O3)

Compound Name

N-(2-ethoxyphenyl)-3-{3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}benzamide

IUPAC name

N-(2-ethoxyphenyl)-3-{3-[(3-fluorophenyl)methyl]-2-oxo-13-diazinan-1-yl}benzamide

SMILES

CCOc(cccc1)c1NC(c1cccc(N(CCCN2Cc3cccc(F)c3)C2=O)c1)=O

InChI

InChI=1S/C26H26FN3O3/c1-2-33-24-13-4-3-12-23(24)28-25(31)20-9-6-11-22(17-20)30-15-7-14-29(26(30)32)18-19-8-5-10-21(27)16-19/h3-6,8-13,16-17H,2,7,14-15,18H2,1H3,(H,28,31)

InChI Key

NDOJXIZJWZBIAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.832

Distribution Coefficient, logD

4.832

Water Solubility, LogSw

-4.44

Polar Surface Area

49.401

Acid Dissociation Constant (pKa)

10.46

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

D641-0067 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D641-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D641-0067?
Check Price and Availability of D641-0067, 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 D641-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D641-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D641-0067
  • 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 D641-0067 available by request