3302-0031 Screening compound: 1,3-bis(prop-2-en-1-yl)-2,3-dihydro-1H-1,3-benzodiazole-2-thione

3302-0031 Screening compound: 1,3-bis(prop-2-en-1-yl)-2,3-dihydro-1H-1,3-benzodiazole-2-thione
3302-0031 Screening compound: 1,3-bis(prop-2-en-1-yl)-2,3-dihydro-1H-1,3-benzodiazole-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3302-0031
1,3-bis(prop-2-en-1-yl)-2,3-dihydro-1H-1,3-benzodiazole-2-thione

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

3302-0031

Molecular Formula

C13H14N2S (C13 H14 N2 S)

Compound Name

1,3-bis(prop-2-en-1-yl)-2,3-dihydro-1H-1,3-benzodiazole-2-thione

IUPAC name

13-bis(prop-2-en-1-yl)-23-dihydro-1H-13-benzodiazole-2-thione

SMILES

C=CCN(c(cccc1)c1N1CC=C)C1=S

InChI

InChI=1S/C13H14N2S/c1-3-9-14-11-7-5-6-8-12(11)15(10-4-2)13(14)16/h3-8H,1-2,9-10H2

InChI Key

KGLGUEXPSWMAOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02642210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

230.33

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.041

Distribution Coefficient, logD

3.041

Water Solubility, LogSw

-3.16

Polar Surface Area

5.041

Acid Dissociation Constant (pKa)

32.77

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 3302-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3302-0031?
Check Price and Availability of 3302-0031, 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 3302-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3302-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3302-0031
  • 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 3302-0031 available by request