8014-7786 Screening compound: (4-bromo-2-butynyl)(4-methylphenyl)dioxo-lambda~6~-sulfane

8014-7786 Screening compound: (4-bromo-2-butynyl)(4-methylphenyl)dioxo-lambda~6~-sulfane
8014-7786 Screening compound: (4-bromo-2-butynyl)(4-methylphenyl)dioxo-lambda~6~-sulfane alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-7786
(4-bromo-2-butynyl)(4-methylphenyl)dioxo-lambda~6~-sulfane

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

8014-7786

Molecular Formula

C11H11BrO2S (C11 H11 BrO2 S)

Compound Name

(4-bromo-2-butynyl)(4-methylphenyl)dioxo-lambda~6~-sulfane

IUPAC name

1-(4-bromobut-2-yne-1-sulfonyl)-4-methylbenzene

SMILES

Cc(cc1)ccc1S(CC#CCBr)(=O)=O

InChI

InChI=1S/C11H11BrO2S/c1-10-4-6-11(7-5-10)15(13,14)9-3-2-8-12/h4-7H,8-9H2,1H3

InChI Key

DWMSQNLWCILOPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01099437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.18

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.790

Distribution Coefficient, logD

2.790

Water Solubility, LogSw

-3.06

Polar Surface Area

29.275

Acid Dissociation Constant (pKa)

19.42

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

8014-7786 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-7786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-7786?
Check Price and Availability of 8014-7786, 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 8014-7786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-7786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-7786
  • 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 8014-7786 available by request