8019-7094 Screening compound: 1-benzyl-1H-1,3-benzodiazole-2-thiol

8019-7094 Screening compound: 1-benzyl-1H-1,3-benzodiazole-2-thiol
8019-7094 Screening compound: 1-benzyl-1H-1,3-benzodiazole-2-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-7094
1-benzyl-1H-1,3-benzodiazole-2-thiol

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

8019-7094

Molecular Formula

C14H12N2S (C14 H12 N2 S)

Compound Name

1-benzyl-1H-1,3-benzodiazole-2-thiol

IUPAC name

1-benzyl-1H-13-benzodiazole-2-thiol

SMILES

Sc1nc(cccc2)c2n1Cc1ccccc1

InChI

InChI=1S/C14H12N2S/c17-14-15-12-8-4-5-9-13(12)16(14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,17)

InChI Key

NPCKYDJGUXAGPP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

240.33

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.724

Distribution Coefficient, logD

3.719

Water Solubility, LogSw

-4.16

Polar Surface Area

9.223

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 8019-7094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-7094?
Check Price and Availability of 8019-7094, 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 8019-7094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-7094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-7094
  • 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 8019-7094 available by request