6218-0009 Screening compound: 2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide

6218-0009 Screening compound: 2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
6218-0009 Screening compound: 2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6218-0009
2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(naphthalen-1-yl)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

6218-0009

Molecular Formula

C19H18N4O2S (C19 H18 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

C=CCN(C(N)=C1)C(SCC(Nc2cccc3ccccc23)=O)=NC1=O

InChI

InChI=1S/C19H18N4O2S/c1-2-10-23-16(20)11-17(24)22-19(23)26-12-18(25)21-15-9-5-7-13-6-3-4-8-14(13)15/h2-9,11H,1,10,12,20H2,(H,21,25)

InChI Key

XMHBDHJDXIRGDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02243601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.44

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

1.924

Distribution Coefficient, logD

1.924

Water Solubility, LogSw

-2.69

Polar Surface Area

67.243

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

6218-0009 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 6218-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6218-0009?
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What is the minimum amount of 6218-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6218-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6218-0009
  • 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 6218-0009 available by request