8008-3393 Screening compound: cyclopentyl 6-methyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

8008-3393 Screening compound: cyclopentyl 6-methyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
8008-3393 Screening compound: cyclopentyl 6-methyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-3393
cyclopentyl 6-methyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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

8008-3393

Molecular Formula

C23H24N2O4 (C23 H24 N2 O4)

Compound Name

cyclopentyl 6-methyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

cyclopentyl 6-methyl-2-oxo-4-(3-phenoxyphenyl)-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(NC(NC1c2cc(Oc3ccccc3)ccc2)=O)=C1C(OC1CCCC1)=O

InChI

InChI=1S/C23H24N2O4/c1-15-20(22(26)29-18-11-5-6-12-18)21(25-23(27)24-15)16-8-7-13-19(14-16)28-17-9-3-2-4-10-17/h2-4,7-10,13-14,18,21H,5-6,11-12H2,1H3,(H2,24,25,27)/t21-/m1/s1

InChI Key

JBRFPOUVPQSPKR-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD01192432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.056

Distribution Coefficient, logD

3.906

Water Solubility, LogSw

-4.19

Polar Surface Area

62.889

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.43

8008-3393 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8008-3393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-3393?
Check Price and Availability of 8008-3393, 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 8008-3393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-3393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-3393
  • 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 8008-3393 available by request