5786-1542 Screening compound: 1-(butan-2-yl)-1H-1,3-benzodiazole-2-thiol

5786-1542 Screening compound: 1-(butan-2-yl)-1H-1,3-benzodiazole-2-thiol
5786-1542 Screening compound: 1-(butan-2-yl)-1H-1,3-benzodiazole-2-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5786-1542
1-(butan-2-yl)-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

5786-1542

Molecular Formula

C11H14N2S (C11 H14 N2 S)

Compound Name

1-(butan-2-yl)-1H-1,3-benzodiazole-2-thiol

IUPAC name

1-(butan-2-yl)-1H-13-benzodiazole-2-thiol

SMILES

CCC(C)n1c(S)nc2c1cccc2

InChI

InChI=1S/C11H14N2S/c1-3-8(2)13-10-7-5-4-6-9(10)12-11(13)14/h4-8H,3H2,1-2H3,(H,12,14)/t8-/m0/s1

InChI Key

IFMGTBLINHVYGN-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD03719819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

206.31

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

3.280

Distribution Coefficient, logD

3.280

Water Solubility, LogSw

-3.28

Polar Surface Area

10.154

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

5786-1542 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 5786-1542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5786-1542?
Check Price and Availability of 5786-1542, 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 5786-1542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5786-1542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5786-1542
  • 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 5786-1542 available by request