3999-6398 Screening compound: cyclooctyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

3999-6398 Screening compound: cyclooctyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
3999-6398 Screening compound: cyclooctyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3999-6398
cyclooctyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

3999-6398

Molecular Formula

C20H26N2O4 (C20 H26 N2 O4)

Compound Name

cyclooctyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

n/a

SMILES

CC(NC(NC1c2cc(O)ccc2)=O)=C1C(OC1CCCCCCC1)=O

InChI

InChI=1S/C20H26N2O4/c1-13-17(19(24)26-16-10-5-3-2-4-6-11-16)18(22-20(25)21-13)14-8-7-9-15(23)12-14/h7-9,12,16,18,23H,2-6,10-11H2,1H3,(H2,21,22,25)/t18-/m1/s1

InChI Key

HKFMJBJVFWZYBL-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01192497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.756

Distribution Coefficient, logD

3.606

Water Solubility, LogSw

-3.64

Polar Surface Area

73.723

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

3999-6398 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 3999-6398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3999-6398?
Check Price and Availability of 3999-6398, 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 3999-6398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3999-6398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3999-6398
  • 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 3999-6398 available by request