8004-5518 Screening compound: 2-({5-[(E)-{[(3-bromophenyl)formamido]imino}methyl]furan-2-yl}sulfanyl)-N-(naphthalen-2-yl)acetamide

8004-5518 Screening compound: 2-({5-[(E)-{[(3-bromophenyl)formamido]imino}methyl]furan-2-yl}sulfanyl)-N-(naphthalen-2-yl)acetamide
8004-5518 Screening compound: 2-({5-[(E)-{[(3-bromophenyl)formamido]imino}methyl]furan-2-yl}sulfanyl)-N-(naphthalen-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-5518
2-({5-[(E)-{[(3-bromophenyl)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

8004-5518

Molecular Formula

C24H18BrN3O3S (C24 H18 BrN3 O3 S)

Compound Name

2-({5-[(E)-{[(3-bromophenyl)formamido]imino}methyl]furan-2-yl}sulfanyl)-N-(naphthalen-2-yl)acetamide

IUPAC name

2-({5-[(E)-{[(3-bromophenyl)formamido]imino}methyl]furan-2-yl}sulfanyl)-N-(naphthalen-2-yl)acetamide

SMILES

O=C(CSc1ccc(/C=N/NC(c2cccc(Br)c2)=O)o1)Nc1cc2ccccc2cc1

InChI

InChI=1S/C24H18BrN3O3S/c25-19-7-3-6-18(12-19)24(30)28-26-14-21-10-11-23(31-21)32-15-22(29)27-20-9-8-16-4-1-2-5-17(16)13-20/h1-14H,15H2,(H,27,29)(H,28,30)

InChI Key

DUBUTJQJHZXTPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00739458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.4

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

6.409

Distribution Coefficient, logD

6.403

Water Solubility, LogSw

-6.93

Polar Surface Area

66.222

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

References: we are preparing a list of scientific research reports with 8004-5518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-5518?
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What is the minimum amount of 8004-5518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-5518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-5518
  • 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 8004-5518 available by request