8009-2568 Screening compound: 2-[(5-benzyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide

8009-2568 Screening compound: 2-[(5-benzyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide
8009-2568 Screening compound: 2-[(5-benzyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2568
2-[(5-benzyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide

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

8009-2568

Molecular Formula

C19H16ClN3O3S (C19 H16 ClN3 O3 S)

Compound Name

2-[(5-benzyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide

IUPAC name

2-[(5-benzyl-46-dioxo-1456-tetrahydropyrimidin-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide

SMILES

O=C(CSC(NC(C1Cc2ccccc2)=O)=NC1=O)Nc(cccc1)c1Cl

InChI

InChI=1S/C19H16ClN3O3S/c20-14-8-4-5-9-15(14)21-16(24)11-27-19-22-17(25)13(18(26)23-19)10-12-6-2-1-3-7-12/h1-9,13H,10-11H2,(H,21,24)(H,22,23,25,26)

InChI Key

ZBMJYOROOSHJJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.87

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.382

Distribution Coefficient, logD

-4.018

Water Solubility, LogSw

-2.97

Polar Surface Area

70.474

Acid Dissociation Constant (pKa)

1.00

Base Dissociation Constant (pKb)

-1.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

8009-2568 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 8009-2568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2568?
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What is the minimum amount of 8009-2568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2568
  • 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 8009-2568 available by request