1731-0075 Screening compound: {[5-(carbamimidoylsulfanyl)pentyl]sulfanyl}methanimidamide

1731-0075 Screening compound: {[5-(carbamimidoylsulfanyl)pentyl]sulfanyl}methanimidamide
1731-0075 Screening compound: {[5-(carbamimidoylsulfanyl)pentyl]sulfanyl}methanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1731-0075
{[5-(carbamimidoylsulfanyl)pentyl]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

1731-0075

Molecular Formula

C7H16N4S2 (C7 H16 N4 S2)

Compound Name

{[5-(carbamimidoylsulfanyl)pentyl]sulfanyl}methanimidamide

IUPAC name

{[5-(carbamimidoylsulfanyl)pentyl]sulfanyl}methanimidamide

SMILES

NC(SCCCCCSC(N)=N)=N

InChI

InChI=1S/C7H16N4S2/c8-6(9)12-4-2-1-3-5-13-7(10)11/h1-5H2,(H3,8,9)(H3,10,11)

InChI Key

XLBLCLRBVDWBFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01246989

Chemical and Physical Properties

Saltdata

2HBr

Molecular Weight

220.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.680

Distribution Coefficient, logD

-0.990

Water Solubility, LogSw

-1.01

Polar Surface Area

80.052

Acid Dissociation Constant (pKa)

15.77

Base Dissociation Constant (pKb)

9.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.40

1731-0075 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1731-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1731-0075?
Check Price and Availability of 1731-0075, 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 1731-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1731-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1731-0075
  • 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 1731-0075 available by request