F725-0089 Screening compound: N-[(3,4-diethoxyphenyl)methyl]-3-{[6-(3-methylphenyl)pyrimidin-4-yl]amino}benzamide

F725-0089 Screening compound: N-[(3,4-diethoxyphenyl)methyl]-3-{[6-(3-methylphenyl)pyrimidin-4-yl]amino}benzamide
F725-0089 Screening compound: N-[(3,4-diethoxyphenyl)methyl]-3-{[6-(3-methylphenyl)pyrimidin-4-yl]amino}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F725-0089
N-[(3,4-diethoxyphenyl)methyl]-3-{[6-(3-methylphenyl)pyrimidin-4-yl]amino}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

F725-0089

Molecular Formula

C29H30N4O3 (C29 H30 N4 O3)

Compound Name

N-[(3,4-diethoxyphenyl)methyl]-3-{[6-(3-methylphenyl)pyrimidin-4-yl]amino}benzamide

IUPAC name

N-[(34-diethoxyphenyl)methyl]-3-{[6-(3-methylphenyl)pyrimidin-4-yl]amino}benzamide

SMILES

CCOc(ccc(CNC(c1cc(Nc2ncnc(-c3cc(C)ccc3)c2)ccc1)=O)c1)c1OCC

InChI

InChI=1S/C29H30N4O3/c1-4-35-26-13-12-21(15-27(26)36-5-2)18-30-29(34)23-10-7-11-24(16-23)33-28-17-25(31-19-32-28)22-9-6-8-20(3)14-22/h6-17,19H,4-5,18H2,1-3H3,(H,30,34)(H,31,32,33)

InChI Key

BECWNGAHGGBARP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14964795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.586

Distribution Coefficient, logD

5.383

Water Solubility, LogSw

-5.43

Polar Surface Area

68.090

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

7.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

F725-0089 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 F725-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F725-0089?
Check Price and Availability of F725-0089, 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 F725-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F725-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F725-0089
  • 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 F725-0089 available by request