8018-0438 Screening compound: 5-benzyl-2-[(2,4-dichlorobenzyl)sulfanyl]-6-methyl-4(3H)-pyrimidinone

8018-0438 Screening compound: 5-benzyl-2-[(2,4-dichlorobenzyl)sulfanyl]-6-methyl-4(3H)-pyrimidinone
8018-0438 Screening compound: 5-benzyl-2-[(2,4-dichlorobenzyl)sulfanyl]-6-methyl-4(3H)-pyrimidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0438
5-benzyl-2-[(2,4-dichlorobenzyl)sulfanyl]-6-methyl-4(3H)-pyrimidinone

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

8018-0438

Molecular Formula

C19H16Cl2N2OS (C19 H16 Cl2 N2 OS)

Compound Name

5-benzyl-2-[(2,4-dichlorobenzyl)sulfanyl]-6-methyl-4(3H)-pyrimidinone

IUPAC name

5-benzyl-2-{[(24-dichlorophenyl)methyl]sulfanyl}-6-methyl-34-dihydropyrimidin-4-one

SMILES

CC(N=C(N1)SCc(ccc(Cl)c2)c2Cl)=C(Cc2ccccc2)C1=O

InChI

InChI=1S/C19H16Cl2N2OS/c1-12-16(9-13-5-3-2-4-6-13)18(24)23-19(22-12)25-11-14-7-8-15(20)10-17(14)21/h2-8,10H,9,11H2,1H3,(H,22,23,24)

InChI Key

FDHQSXVBWGOTGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04157888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.137

Distribution Coefficient, logD

5.100

Water Solubility, LogSw

-5.58

Polar Surface Area

33.881

Acid Dissociation Constant (pKa)

8.46

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

8018-0438 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 8018-0438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0438?
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What is the minimum amount of 8018-0438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0438
  • 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 8018-0438 available by request