C301-8583 Screening compound: 6-propyl-6H-imidazo[4,5-e][2,1,3]benzothiadiazol-7-ylhydrosulfide

C301-8583 Screening compound: 6-propyl-6H-imidazo[4,5-e][2,1,3]benzothiadiazol-7-ylhydrosulfide
C301-8583 Screening compound: 6-propyl-6H-imidazo[4,5-e][2,1,3]benzothiadiazol-7-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8583
6-propyl-6H-imidazo[4,5-e][2,1,3]benzothiadiazol-7-ylhydrosulfide

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

C301-8583

Molecular Formula

C10H10N4S2 (C10 H10 N4 S2)

Compound Name

6-propyl-6H-imidazo[4,5-e][2,1,3]benzothiadiazol-7-ylhydrosulfide

IUPAC name

10-propyl-4-thia-351012-tetraazatricyclo[7.3.0.0^{26}]dodeca-1(9)25711-pentaene-11-thiol

SMILES

CCCn1c(S)nc2c1ccc1nsnc12

InChI

InChI=1S/C10H10N4S2/c1-2-5-14-7-4-3-6-8(13-16-12-6)9(7)11-10(14)15/h3-4H,2,5H2,1H3,(H,11,15)

InChI Key

ACWDXIKEHTXQGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.079

Distribution Coefficient, logD

3.079

Water Solubility, LogSw

-2.90

Polar Surface Area

31.196

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C301-8583 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-8583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8583?
Check Price and Availability of C301-8583, 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 C301-8583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8583
  • 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 C301-8583 available by request