7043-0960 Screening compound: 2-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-4-methylquinoline

7043-0960 Screening compound: 2-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-4-methylquinoline
7043-0960 Screening compound: 2-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-4-methylquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 7043-0960
2-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-4-methylquinoline

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

7043-0960

Molecular Formula

C18H16BrNOS (C18 H16 BrNOS)

Compound Name

2-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-4-methylquinoline

IUPAC name

2-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-4-methylquinoline

SMILES

Cc1cc(SCc(cc2)cc(Br)c2OC)nc2ccccc12

InChI

InChI=1S/C18H16BrNOS/c1-12-9-18(20-16-6-4-3-5-14(12)16)22-11-13-7-8-17(21-2)15(19)10-13/h3-10H,11H2,1-2H3

InChI Key

FXHDABLSQGWCMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05993418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.523

Distribution Coefficient, logD

5.523

Water Solubility, LogSw

-5.73

Polar Surface Area

15.289

Acid Dissociation Constant (pKa)

24.95

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

7043-0960 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7043-0960 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7043-0960?
Check Price and Availability of 7043-0960, 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 7043-0960 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7043-0960
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7043-0960
  • 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 7043-0960 available by request