4477-2261 Screening compound: (1H-1,3-benzodiazol-2-ylsulfanyl)methanimidamide

4477-2261 Screening compound: (1H-1,3-benzodiazol-2-ylsulfanyl)methanimidamide
4477-2261 Screening compound: (1H-1,3-benzodiazol-2-ylsulfanyl)methanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-2261
(1H-1,3-benzodiazol-2-ylsulfanyl)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

4477-2261

Molecular Formula

C8H8N4S (C8 H8 N4 S)

Compound Name

(1H-1,3-benzodiazol-2-ylsulfanyl)methanimidamide

IUPAC name

(1H-13-benzodiazol-2-ylsulfanyl)methanimidamide

SMILES

NC(Sc1nc(cccc2)c2[nH]1)=N

InChI

InChI=1S/C8H8N4S/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4H,(H3,9,10)(H,11,12)

InChI Key

RCHWYDXURDHCJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01945570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

192.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.851

Distribution Coefficient, logD

-2.624

Water Solubility, LogSw

-1.45

Polar Surface Area

58.022

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

11.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4477-2261 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 4477-2261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-2261?
Check Price and Availability of 4477-2261, 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 4477-2261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-2261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-2261
  • 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 4477-2261 available by request