3786-0644 Screening compound: N-[(furan-2-yl)methyl]-2-{4-[(E)-{[2-(pyrimidin-2-ylsulfanyl)acetamido]imino}methyl]phenoxy}acetamide

3786-0644 Screening compound: N-[(furan-2-yl)methyl]-2-{4-[(E)-{[2-(pyrimidin-2-ylsulfanyl)acetamido]imino}methyl]phenoxy}acetamide
3786-0644 Screening compound: N-[(furan-2-yl)methyl]-2-{4-[(E)-{[2-(pyrimidin-2-ylsulfanyl)acetamido]imino}methyl]phenoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3786-0644
N-[(furan-2-yl)methyl]-2-{4-[(E)-{[2-(pyrimidin-2-ylsulfanyl)acetamido]imino}methyl]phenoxy}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

3786-0644

Molecular Formula

C20H19N5O4S (C20 H19 N5 O4 S)

Compound Name

N-[(furan-2-yl)methyl]-2-{4-[(E)-{[2-(pyrimidin-2-ylsulfanyl)acetamido]imino}methyl]phenoxy}acetamide

IUPAC name

N-[(furan-2-yl)methyl]-2-{4-[(E)-{[2-(pyrimidin-2-ylsulfanyl)acetamido]imino}methyl]phenoxy}acetamide

SMILES

O=C(COc1ccc(/C=N/NC(CSc2ncccn2)=O)cc1)NCc1ccco1

InChI

InChI=1S/C20H19N5O4S/c26-18(23-12-17-3-1-10-28-17)13-29-16-6-4-15(5-7-16)11-24-25-19(27)14-30-20-21-8-2-9-22-20/h1-11H,12-14H2,(H,23,26)(H,25,27)

InChI Key

BJRLASYWCDNAHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02808224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.802

Distribution Coefficient, logD

1.802

Water Solubility, LogSw

-2.36

Polar Surface Area

92.946

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 3786-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3786-0644?
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What is the minimum amount of 3786-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3786-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3786-0644
  • 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 3786-0644 available by request