8018-0471 Screening compound: 1-[2-(4-chlorophenoxy)ethyl]-3-(1-phenylethyl)-2,4(1H,3H)-pyrimidinedione

8018-0471 Screening compound: 1-[2-(4-chlorophenoxy)ethyl]-3-(1-phenylethyl)-2,4(1H,3H)-pyrimidinedione
8018-0471 Screening compound: 1-[2-(4-chlorophenoxy)ethyl]-3-(1-phenylethyl)-2,4(1H,3H)-pyrimidinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0471
1-[2-(4-chlorophenoxy)ethyl]-3-(1-phenylethyl)-2,4(1H,3H)-pyrimidinedione

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

8018-0471

Molecular Formula

C20H19ClN2O3 (C20 H19 ClN2 O3)

Compound Name

1-[2-(4-chlorophenoxy)ethyl]-3-(1-phenylethyl)-2,4(1H,3H)-pyrimidinedione

IUPAC name

1-[2-(4-chlorophenoxy)ethyl]-3-(1-phenylethyl)-1234-tetrahydropyrimidine-24-dione

SMILES

CC(c1ccccc1)N(C(C=CN1CCOc(cc2)ccc2Cl)=O)C1=O

InChI

InChI=1S/C20H19ClN2O3/c1-15(16-5-3-2-4-6-16)23-19(24)11-12-22(20(23)25)13-14-26-18-9-7-17(21)8-10-18/h2-12,15H,13-14H2,1H3/t15-/m0/s1

InChI Key

HTPMHCMXQFDULY-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD07022138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.742

Distribution Coefficient, logD

3.742

Water Solubility, LogSw

-4.33

Polar Surface Area

38.893

Acid Dissociation Constant (pKa)

26.51

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8018-0471 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-0471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0471?
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What is the minimum amount of 8018-0471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0471
  • 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 8018-0471 available by request