L533-0317 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide

L533-0317 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide
L533-0317 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L533-0317
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]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

L533-0317

Molecular Formula

C26H27N3O3 (C26 H27 N3 O3)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide

SMILES

COc1cccc(Oc2cc(-c(cc3)ccc3C(NCCC3=CCCCC3)=O)ncn2)c1

InChI

InChI=1S/C26H27N3O3/c1-31-22-8-5-9-23(16-22)32-25-17-24(28-18-29-25)20-10-12-21(13-11-20)26(30)27-15-14-19-6-3-2-4-7-19/h5-6,8-13,16-18H,2-4,7,14-15H2,1H3,(H,27,30)

InChI Key

IBVZGZNXUSSLQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27460109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.689

Distribution Coefficient, logD

4.689

Water Solubility, LogSw

-4.45

Polar Surface Area

58.416

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with L533-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L533-0317?
Check Price and Availability of L533-0317, 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 L533-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L533-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L533-0317
  • 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 L533-0317 available by request