8454-0040 Screening compound: 5-heptyl-6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-ol

8454-0040 Screening compound: 5-heptyl-6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-ol
8454-0040 Screening compound: 5-heptyl-6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8454-0040
5-heptyl-6-methyl-2-(pyrrolidin-1-yl)pyrimidin-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

8454-0040

Molecular Formula

C16H27N3O (C16 H27 N3 O)

Compound Name

5-heptyl-6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-ol

IUPAC name

5-heptyl-6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-ol

SMILES

CCCCCCCc1c(C)nc(N2CCCC2)nc1O

InChI

InChI=1S/C16H27N3O/c1-3-4-5-6-7-10-14-13(2)17-16(18-15(14)20)19-11-8-9-12-19/h3-12H2,1-2H3,(H,17,18,20)

InChI Key

SNNNVYDJTTUEOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.913

Distribution Coefficient, logD

4.899

Water Solubility, LogSw

-4.52

Polar Surface Area

39.092

Acid Dissociation Constant (pKa)

8.88

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

8454-0040 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8454-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8454-0040?
Check Price and Availability of 8454-0040, 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 8454-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8454-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8454-0040
  • 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 8454-0040 available by request