2218-0003 Screening compound: 5,6-dimethyl-1H-1,3-benzodiazole-2-thiol

2218-0003 Screening compound: 5,6-dimethyl-1H-1,3-benzodiazole-2-thiol
2218-0003 Screening compound: 5,6-dimethyl-1H-1,3-benzodiazole-2-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2218-0003
5,6-dimethyl-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

2218-0003

Molecular Formula

C9H10N2S (C9 H10 N2 S)

Compound Name

5,6-dimethyl-1H-1,3-benzodiazole-2-thiol

IUPAC name

56-dimethyl-1H-13-benzodiazole-2-thiol

SMILES

Cc(c(C)c1)cc([nH]2)c1nc2S

InChI

InChI=1S/C9H10N2S/c1-5-3-7-8(4-6(5)2)11-9(12)10-7/h3-4H,1-2H3,(H2,10,11,12)

InChI Key

CKUXMYYDAQIJRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00519115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

178.26

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.875

Distribution Coefficient, logD

2.855

Water Solubility, LogSw

-2.95

Polar Surface Area

17.128

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

6.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

2218-0003 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2218-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2218-0003?
Check Price and Availability of 2218-0003, 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 2218-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2218-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2218-0003
  • 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 2218-0003 available by request