F871-1331 Screening compound: N-[(3,4-diethoxyphenyl)methyl]-3-[(2-phenylpyrimidin-4-yl)amino]benzamide

F871-1331 Screening compound: N-[(3,4-diethoxyphenyl)methyl]-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
F871-1331 Screening compound: N-[(3,4-diethoxyphenyl)methyl]-3-[(2-phenylpyrimidin-4-yl)amino]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F871-1331
N-[(3,4-diethoxyphenyl)methyl]-3-[(2-phenylpyrimidin-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

F871-1331

Molecular Formula

C28H28N4O3 (C28 H28 N4 O3)

Compound Name

N-[(3,4-diethoxyphenyl)methyl]-3-[(2-phenylpyrimidin-4-yl)amino]benzamide

IUPAC name

N-[(34-diethoxyphenyl)methyl]-3-[(2-phenylpyrimidin-4-yl)amino]benzamide

SMILES

CCOc(ccc(CNC(c1cc(Nc2nc(-c3ccccc3)ncc2)ccc1)=O)c1)c1OCC

InChI

InChI=1S/C28H28N4O3/c1-3-34-24-14-13-20(17-25(24)35-4-2)19-30-28(33)22-11-8-12-23(18-22)31-26-15-16-29-27(32-26)21-9-6-5-7-10-21/h5-18H,3-4,19H2,1-2H3,(H,30,33)(H,29,31,32)

InChI Key

QCYKOLJGZCXLKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14969504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.56

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

4.887

Distribution Coefficient, logD

4.749

Water Solubility, LogSw

-4.53

Polar Surface Area

67.283

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

F871-1331 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with F871-1331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F871-1331?
Check Price and Availability of F871-1331, 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 F871-1331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F871-1331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F871-1331
  • 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 F871-1331 available by request