F733-0954 Screening compound: N-butyl-4-{[6-(3-fluorophenyl)pyrimidin-4-yl]amino}-N-methylbenzamide

F733-0954 Screening compound: N-butyl-4-{[6-(3-fluorophenyl)pyrimidin-4-yl]amino}-N-methylbenzamide
F733-0954 Screening compound: N-butyl-4-{[6-(3-fluorophenyl)pyrimidin-4-yl]amino}-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F733-0954
N-butyl-4-{[6-(3-fluorophenyl)pyrimidin-4-yl]amino}-N-methylbenzamide

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

F733-0954

Molecular Formula

C22H23FN4O (C22 H23 FN4 O)

Compound Name

N-butyl-4-{[6-(3-fluorophenyl)pyrimidin-4-yl]amino}-N-methylbenzamide

IUPAC name

N-butyl-4-{[6-(3-fluorophenyl)pyrimidin-4-yl]amino}-N-methylbenzamide

SMILES

CCCCN(C)C(c(cc1)ccc1Nc1cc(-c2cccc(F)c2)ncn1)=O

InChI

InChI=1S/C22H23FN4O/c1-3-4-12-27(2)22(28)16-8-10-19(11-9-16)26-21-14-20(24-15-25-21)17-6-5-7-18(23)13-17/h5-11,13-15H,3-4,12H2,1-2H3,(H,24,25,26)

InChI Key

YRTDWJREISXHEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27188774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.488

Distribution Coefficient, logD

4.422

Water Solubility, LogSw

-4.13

Polar Surface Area

45.657

Acid Dissociation Constant (pKa)

17.08

Base Dissociation Constant (pKb)

6.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

F733-0954 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • 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 F733-0954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F733-0954?
Check Price and Availability of F733-0954, 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 F733-0954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F733-0954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F733-0954
  • 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 F733-0954 available by request