3578-0867 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N,N-dibutylacetamide

3578-0867 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N,N-dibutylacetamide
3578-0867 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N,N-dibutylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3578-0867
2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N,N-dibutylacetamide

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

3578-0867

Molecular Formula

C17H25N3OS (C17 H25 N3 OS)

Compound Name

2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N,N-dibutylacetamide

IUPAC name

2-(1H-13-benzodiazol-2-ylsulfanyl)-NN-dibutylacetamide

SMILES

CCCCN(CCCC)C(CSc1nc(cccc2)c2[nH]1)=O

InChI

InChI=1S/C17H25N3OS/c1-3-5-11-20(12-6-4-2)16(21)13-22-17-18-14-9-7-8-10-15(14)19-17/h7-10H,3-6,11-13H2,1-2H3,(H,18,19)

InChI Key

JTJCZCWCQLHFRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02221458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.958

Distribution Coefficient, logD

3.934

Water Solubility, LogSw

-3.77

Polar Surface Area

34.163

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

3578-0867 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 3578-0867 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3578-0867?
Check Price and Availability of 3578-0867, 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 3578-0867 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3578-0867
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3578-0867
  • 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 3578-0867 available by request