8014-5181 Screening compound: N-(2,4-dichlorophenyl)-2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetamide

8014-5181 Screening compound: N-(2,4-dichlorophenyl)-2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetamide
8014-5181 Screening compound: N-(2,4-dichlorophenyl)-2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-5181
N-(2,4-dichlorophenyl)-2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]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

8014-5181

Molecular Formula

C15H15Cl2N3O2S (C15 H15 Cl2 N3 O2 S)

Compound Name

N-(2,4-dichlorophenyl)-2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetamide

IUPAC name

N-(24-dichlorophenyl)-2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetamide

SMILES

CCCc1nc(SCC(Nc(ccc(Cl)c2)c2Cl)=O)nc(O)c1

InChI

InChI=1S/C15H15Cl2N3O2S/c1-2-3-10-7-13(21)20-15(18-10)23-8-14(22)19-12-5-4-9(16)6-11(12)17/h4-7H,2-3,8H2,1H3,(H,19,22)(H,18,20,21)

InChI Key

ZDAVXBJJJGEBDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03487007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.248

Distribution Coefficient, logD

4.159

Water Solubility, LogSw

-4.27

Polar Surface Area

57.466

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

8014-5181 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-5181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-5181?
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What is the minimum amount of 8014-5181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-5181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-5181
  • 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 8014-5181 available by request