8454-0019 Screening compound: 5-heptyl-2-[(4-methoxyphenyl)amino]-6-methylpyrimidin-4-ol

8454-0019 Screening compound: 5-heptyl-2-[(4-methoxyphenyl)amino]-6-methylpyrimidin-4-ol
8454-0019 Screening compound: 5-heptyl-2-[(4-methoxyphenyl)amino]-6-methylpyrimidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8454-0019
5-heptyl-2-[(4-methoxyphenyl)amino]-6-methylpyrimidin-4-ol

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

8454-0019

Molecular Formula

C19H27N3O2 (C19 H27 N3 O2)

Compound Name

5-heptyl-2-[(4-methoxyphenyl)amino]-6-methylpyrimidin-4-ol

IUPAC name

5-heptyl-2-[(4-methoxyphenyl)amino]-6-methylpyrimidin-4-ol

SMILES

CCCCCCCc(c(C)nc(Nc(cc1)ccc1OC)n1)c1O

InChI

InChI=1S/C19H27N3O2/c1-4-5-6-7-8-9-17-14(2)20-19(22-18(17)23)21-15-10-12-16(24-3)13-11-15/h10-13H,4-9H2,1-3H3,(H2,20,21,22,23)

InChI Key

XWIJMPOCKLFRRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.574

Distribution Coefficient, logD

5.026

Water Solubility, LogSw

-5.14

Polar Surface Area

53.937

Acid Dissociation Constant (pKa)

7.00

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

References: we are preparing a list of scientific research reports with 8454-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8454-0019?
Check Price and Availability of 8454-0019, 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 8454-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8454-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8454-0019
  • 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 8454-0019 available by request