3027-0097 Screening compound: [2-(1H-1,3-benzodiazol-2-ylsulfanyl)ethyl]diethylamine

3027-0097 Screening compound: [2-(1H-1,3-benzodiazol-2-ylsulfanyl)ethyl]diethylamine
3027-0097 Screening compound: [2-(1H-1,3-benzodiazol-2-ylsulfanyl)ethyl]diethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3027-0097
[2-(1H-1,3-benzodiazol-2-ylsulfanyl)ethyl]diethylamine

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

3027-0097

Molecular Formula

C13H19N3S (C13 H19 N3 S)

Compound Name

[2-(1H-1,3-benzodiazol-2-ylsulfanyl)ethyl]diethylamine

IUPAC name

[2-(1H-13-benzodiazol-2-ylsulfanyl)ethyl]diethylamine

SMILES

CCN(CC)CCSc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C13H19N3S/c1-3-16(4-2)9-10-17-13-14-11-7-5-6-8-12(11)15-13/h5-8H,3-4,9-10H2,1-2H3,(H,14,15)

InChI Key

WVJJDNQWZCDSAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00603351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.579

Distribution Coefficient, logD

0.436

Water Solubility, LogSw

-2.63

Polar Surface Area

21.663

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

9.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

3027-0097 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 3027-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3027-0097?
Check Price and Availability of 3027-0097, 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 3027-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3027-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3027-0097
  • 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 3027-0097 available by request