F871-0405 Screening compound: N-[2-(diethylamino)ethyl]-3-{[2-(4-fluorophenyl)pyrimidin-4-yl]amino}benzamide

F871-0405 Screening compound: N-[2-(diethylamino)ethyl]-3-{[2-(4-fluorophenyl)pyrimidin-4-yl]amino}benzamide
F871-0405 Screening compound: N-[2-(diethylamino)ethyl]-3-{[2-(4-fluorophenyl)pyrimidin-4-yl]amino}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F871-0405
N-[2-(diethylamino)ethyl]-3-{[2-(4-fluorophenyl)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

F871-0405

Molecular Formula

C23H26FN5O (C23 H26 FN5 O)

Compound Name

N-[2-(diethylamino)ethyl]-3-{[2-(4-fluorophenyl)pyrimidin-4-yl]amino}benzamide

IUPAC name

N-[2-(diethylamino)ethyl]-3-{[2-(4-fluorophenyl)pyrimidin-4-yl]amino}benzamide

SMILES

CCN(CC)CCNC(c1cccc(Nc2ccnc(-c(cc3)ccc3F)n2)c1)=O

InChI

InChI=1S/C23H26FN5O/c1-3-29(4-2)15-14-26-23(30)18-6-5-7-20(16-18)27-21-12-13-25-22(28-21)17-8-10-19(24)11-9-17/h5-13,16H,3-4,14-15H2,1-2H3,(H,26,30)(H,25,27,28)

InChI Key

JLRSOZIJZJWOCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14969298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.131

Distribution Coefficient, logD

3.017

Water Solubility, LogSw

-4.09

Polar Surface Area

56.387

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with F871-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F871-0405?
Check Price and Availability of F871-0405, 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 F871-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F871-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F871-0405
  • 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 F871-0405 available by request