8004-5580 Screening compound: 2-({5-[(E)-{[(2,4-dichlorophenyl)formamido]imino}methyl]furan-2-yl}sulfanyl)-N-(naphthalen-2-yl)acetamide

8004-5580 Screening compound: 2-({5-[(E)-{[(2,4-dichlorophenyl)formamido]imino}methyl]furan-2-yl}sulfanyl)-N-(naphthalen-2-yl)acetamide
8004-5580 Screening compound: 2-({5-[(E)-{[(2,4-dichlorophenyl)formamido]imino}methyl]furan-2-yl}sulfanyl)-N-(naphthalen-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-5580
2-({5-[(E)-{[(2,4-dichlorophenyl)formamido]imino}methyl]furan-2-yl}sulfanyl)-N-(naphthalen-2-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

8004-5580

Molecular Formula

C24H17Cl2N3O3S (C24 H17 Cl2 N3 O3 S)

Compound Name

2-({5-[(E)-{[(2,4-dichlorophenyl)formamido]imino}methyl]furan-2-yl}sulfanyl)-N-(naphthalen-2-yl)acetamide

IUPAC name

2-({5-[(E)-{[(24-dichlorophenyl)formamido]imino}methyl]furan-2-yl}sulfanyl)-N-(naphthalen-2-yl)acetamide

SMILES

O=C(CSc1ccc(/C=N/NC(c(ccc(Cl)c2)c2Cl)=O)o1)Nc1cc2ccccc2cc1

InChI

InChI=1S/C24H17Cl2N3O3S/c25-17-6-9-20(21(26)12-17)24(31)29-27-13-19-8-10-23(32-19)33-14-22(30)28-18-7-5-15-3-1-2-4-16(15)11-18/h1-13H,14H2,(H,28,30)(H,29,31)

InChI Key

VKSYMBKFMIMYGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00746090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.589

Distribution Coefficient, logD

6.534

Water Solubility, LogSw

-6.53

Polar Surface Area

66.222

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

8004-5580 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8004-5580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-5580?
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What is the minimum amount of 8004-5580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-5580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-5580
  • 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 8004-5580 available by request