L661-0616 Screening compound: N-cyclohexyl-3-{[2-(4-fluorophenyl)pyrimidin-4-yl]oxy}-N-methylbenzamide

L661-0616 Screening compound: N-cyclohexyl-3-{[2-(4-fluorophenyl)pyrimidin-4-yl]oxy}-N-methylbenzamide
L661-0616 Screening compound: N-cyclohexyl-3-{[2-(4-fluorophenyl)pyrimidin-4-yl]oxy}-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L661-0616
N-cyclohexyl-3-{[2-(4-fluorophenyl)pyrimidin-4-yl]oxy}-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

L661-0616

Molecular Formula

C24H24FN3O2 (C24 H24 FN3 O2)

Compound Name

N-cyclohexyl-3-{[2-(4-fluorophenyl)pyrimidin-4-yl]oxy}-N-methylbenzamide

IUPAC name

N-cyclohexyl-3-{[2-(4-fluorophenyl)pyrimidin-4-yl]oxy}-N-methylbenzamide

SMILES

CN(C1CCCCC1)C(c1cccc(Oc2ccnc(-c(cc3)ccc3F)n2)c1)=O

InChI

InChI=1S/C24H24FN3O2/c1-28(20-7-3-2-4-8-20)24(29)18-6-5-9-21(16-18)30-22-14-15-26-23(27-22)17-10-12-19(25)13-11-17/h5-6,9-16,20H,2-4,7-8H2,1H3

InChI Key

NXGAIZXCGLBPQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15132877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.561

Distribution Coefficient, logD

4.561

Water Solubility, LogSw

-4.48

Polar Surface Area

40.820

Acid Dissociation Constant (pKa)

27.13

Base Dissociation Constant (pKb)

2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

L661-0616 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L661-0616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L661-0616?
Check Price and Availability of L661-0616, 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 L661-0616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L661-0616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L661-0616
  • 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 L661-0616 available by request