4486-0007 Screening compound: 2-{[(4-bromophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

4486-0007 Screening compound: 2-{[(4-bromophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
4486-0007 Screening compound: 2-{[(4-bromophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4486-0007
2-{[(4-bromophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

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

4486-0007

Molecular Formula

C18H10BrF3N2S2 (C18 H10 BrF3 N2 S2)

Compound Name

2-{[(4-bromophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

IUPAC name

2-{[(4-bromophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

SMILES

N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCc(cc1)ccc1Br

InChI

InChI=1S/C18H10BrF3N2S2/c19-12-5-3-11(4-6-12)10-26-17-13(9-23)14(18(20,21)22)8-15(24-17)16-2-1-7-25-16/h1-8H,10H2

InChI Key

ZTZQECIOIHQRMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01579647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.598

Distribution Coefficient, logD

6.598

Water Solubility, LogSw

-6.53

Polar Surface Area

26.517

Acid Dissociation Constant (pKa)

25.24

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

4486-0007 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4486-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4486-0007?
Check Price and Availability of 4486-0007, 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 4486-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4486-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4486-0007
  • 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 4486-0007 available by request