4664-2613 Screening compound: N'-[(E)-(2,3-dihydro-1,4-benzodioxin-5-yl)methylidene]-2-(pyrimidin-2-ylsulfanyl)acetohydrazide

4664-2613 Screening compound: N'-[(E)-(2,3-dihydro-1,4-benzodioxin-5-yl)methylidene]-2-(pyrimidin-2-ylsulfanyl)acetohydrazide
4664-2613 Screening compound: N'-[(E)-(2,3-dihydro-1,4-benzodioxin-5-yl)methylidene]-2-(pyrimidin-2-ylsulfanyl)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4664-2613
N'-[(E)-(2,3-dihydro-1,4-benzodioxin-5-yl)methylidene]-2-(pyrimidin-2-ylsulfanyl)acetohydrazide

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

4664-2613

Molecular Formula

C15H14N4O3S (C15 H14 N4 O3 S)

Compound Name

N'-[(E)-(2,3-dihydro-1,4-benzodioxin-5-yl)methylidene]-2-(pyrimidin-2-ylsulfanyl)acetohydrazide

IUPAC name

N'-[(E)-(23-dihydro-14-benzodioxin-5-yl)methylidene]-2-(pyrimidin-2-ylsulfanyl)acetohydrazide

SMILES

O=C(CSc1ncccn1)N/N=C/c1c2OCCOc2ccc1

InChI

InChI=1S/C15H14N4O3S/c20-13(10-23-15-16-5-2-6-17-15)19-18-9-11-3-1-4-12-14(11)22-8-7-21-12/h1-6,9H,7-8,10H2,(H,19,20)

InChI Key

TUXRGUYILGCPGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02136142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.480

Distribution Coefficient, logD

1.480

Water Solubility, LogSw

-2.42

Polar Surface Area

69.006

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 4664-2613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4664-2613?
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What is the minimum amount of 4664-2613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4664-2613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4664-2613
  • 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 4664-2613 available by request