1222-0199 Screening compound: 2-(4-nonylphenyl)pyrimidin-5-yl 4-hexylbenzoate

1222-0199 Screening compound: 2-(4-nonylphenyl)pyrimidin-5-yl 4-hexylbenzoate
1222-0199 Screening compound: 2-(4-nonylphenyl)pyrimidin-5-yl 4-hexylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1222-0199
2-(4-nonylphenyl)pyrimidin-5-yl 4-hexylbenzoate

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

1222-0199

Molecular Formula

C32H42N2O2 (C32 H42 N2 O2)

Compound Name

2-(4-nonylphenyl)pyrimidin-5-yl 4-hexylbenzoate

IUPAC name

2-(4-nonylphenyl)pyrimidin-5-yl 4-hexylbenzoate

SMILES

CCCCCCCCCc(cc1)ccc1-c(nc1)ncc1OC(c1ccc(CCCCCC)cc1)=O

InChI

InChI=1S/C32H42N2O2/c1-3-5-7-9-10-11-13-15-26-16-20-28(21-17-26)31-33-24-30(25-34-31)36-32(35)29-22-18-27(19-23-29)14-12-8-6-4-2/h16-25H,3-15H2,1-2H3

InChI Key

IYIRMNWNFBTDQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

11.129

Distribution Coefficient, logD

11.129

Water Solubility, LogSw

-5.77

Polar Surface Area

39.959

Acid Dissociation Constant (pKa)

25.96

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.90

References: we are preparing a list of scientific research reports with 1222-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1222-0199?
Check Price and Availability of 1222-0199, 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 1222-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1222-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1222-0199
  • 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 1222-0199 available by request