6218-0008 Screening compound: 2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-phenylacetamide

6218-0008 Screening compound: 2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-phenylacetamide
6218-0008 Screening compound: 2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6218-0008
2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-phenylacetamide

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

6218-0008

Molecular Formula

C15H16N4O2S (C15 H16 N4 O2 S)

Compound Name

2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-phenylacetamide

IUPAC name

2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-14-dihydropyrimidin-2-yl]sulfanyl}-N-phenylacetamide

SMILES

C=CCN(C(N)=C1)C(SCC(Nc2ccccc2)=O)=NC1=O

InChI

InChI=1S/C15H16N4O2S/c1-2-8-19-12(16)9-13(20)18-15(19)22-10-14(21)17-11-6-4-3-5-7-11/h2-7,9H,1,8,10,16H2,(H,17,21)

InChI Key

MZXQZQFSQQBJOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02243589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.164

Distribution Coefficient, logD

1.164

Water Solubility, LogSw

-2.08

Polar Surface Area

68.212

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

6218-0008 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 6218-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6218-0008?
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What is the minimum amount of 6218-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6218-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6218-0008
  • 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 6218-0008 available by request