8005-3712 Screening compound: 6-bromo-3-[(Z)-3-chloro-2-butenyl]-2-methyl-4-quinolinethiol

8005-3712 Screening compound: 6-bromo-3-[(Z)-3-chloro-2-butenyl]-2-methyl-4-quinolinethiol
8005-3712 Screening compound: 6-bromo-3-[(Z)-3-chloro-2-butenyl]-2-methyl-4-quinolinethiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-3712
6-bromo-3-[(Z)-3-chloro-2-butenyl]-2-methyl-4-quinolinethiol

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

8005-3712

Molecular Formula

C14H13BrClNS (C14 H13 BrClNS)

Compound Name

6-bromo-3-[(Z)-3-chloro-2-butenyl]-2-methyl-4-quinolinethiol

IUPAC name

6-bromo-3-[(2Z)-3-chlorobut-2-en-1-yl]-2-methylquinoline-4-thiol

SMILES

C/C(/Cl)=C/Cc1c(C)nc(ccc(Br)c2)c2c1S

InChI

InChI=1S/C14H13BrClNS/c1-8(16)3-5-11-9(2)17-13-6-4-10(15)7-12(13)14(11)18/h3-4,6-7H,5H2,1-2H3,(H,17,18)

InChI Key

KGTRTIZLVRXGHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00483905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.69

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

5.226

Distribution Coefficient, logD

3.562

Water Solubility, LogSw

-5.68

Polar Surface Area

9.146

Acid Dissociation Constant (pKa)

5.75

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

References: we are preparing a list of scientific research reports with 8005-3712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-3712?
Check Price and Availability of 8005-3712, 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 8005-3712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-3712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-3712
  • 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 8005-3712 available by request