D186-0245 Screening compound: {[3-(1H-1,3-benzodiazol-2-yl)propyl]sulfanyl}methanimidamide

D186-0245 Screening compound: {[3-(1H-1,3-benzodiazol-2-yl)propyl]sulfanyl}methanimidamide
D186-0245 Screening compound: {[3-(1H-1,3-benzodiazol-2-yl)propyl]sulfanyl}methanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D186-0245
{[3-(1H-1,3-benzodiazol-2-yl)propyl]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

D186-0245

Molecular Formula

C11H14N4S (C11 H14 N4 S)

Compound Name

{[3-(1H-1,3-benzodiazol-2-yl)propyl]sulfanyl}methanimidamide

IUPAC name

{[3-(1H-13-benzodiazol-2-yl)propyl]sulfanyl}methanimidamide

SMILES

NC(SCCCc1nc(cccc2)c2[nH]1)=N

InChI

InChI=1S/C11H14N4S/c12-11(13)16-7-3-6-10-14-8-4-1-2-5-9(8)15-10/h1-2,4-5H,3,6-7H2,(H3,12,13)(H,14,15)

InChI Key

QCPYPWAEAHGXBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

234.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.633

Distribution Coefficient, logD

0.223

Water Solubility, LogSw

-1.77

Polar Surface Area

60.291

Acid Dissociation Constant (pKa)

13.54

Base Dissociation Constant (pKb)

8.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D186-0245 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 D186-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D186-0245?
Check Price and Availability of D186-0245, 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 D186-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D186-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D186-0245
  • 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 D186-0245 available by request