5914-0610 Screening compound: {[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]sulfanyl}methanimidamide

5914-0610 Screening compound: {[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]sulfanyl}methanimidamide
5914-0610 Screening compound: {[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]sulfanyl}methanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5914-0610
{[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]sulfanyl}methanimidamide

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

5914-0610

Molecular Formula

C10H12N2O2S (C10 H12 N2 O2 S)

Compound Name

{[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]sulfanyl}methanimidamide

IUPAC name

{[(23-dihydro-14-benzodioxin-2-yl)methyl]sulfanyl}methanimidamide

SMILES

NC(SCC1Oc(cccc2)c2OC1)=N

InChI

InChI=1S/C10H12N2O2S/c11-10(12)15-6-7-5-13-8-3-1-2-4-9(8)14-7/h1-4,7H,5-6H2,(H3,11,12)/t7-/m1/s1

InChI Key

YNHSHETUOFYTPN-SSDOTTSWSA-N

MDL Number (MFCD)

MFCD00698700

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

224.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.212

Distribution Coefficient, logD

0.032

Water Solubility, LogSw

-1.99

Polar Surface Area

55.689

Acid Dissociation Constant (pKa)

15.77

Base Dissociation Constant (pKb)

8.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

5914-0610 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5914-0610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5914-0610?
Check Price and Availability of 5914-0610, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5914-0610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5914-0610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5914-0610
  • 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 5914-0610 available by request