0655-0117 Screening compound: 4-(4-bromophenyl)-6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide

0655-0117 Screening compound: 4-(4-bromophenyl)-6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide
0655-0117 Screening compound: 4-(4-bromophenyl)-6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0655-0117
4-(4-bromophenyl)-6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide

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

0655-0117

Molecular Formula

C28H19Br2N3O2S (C28 H19 Br2 N3 O2 S)

Compound Name

4-(4-bromophenyl)-6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide

IUPAC name

4-(4-bromophenyl)-6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide

SMILES

Cc(nc1SCC(c(cc2)ccc2Br)=O)c(C(Nc2ccccc2)=O)c(-c(cc2)ccc2Br)c1C#N

InChI

InChI=1S/C28H19Br2N3O2S/c1-17-25(27(35)33-22-5-3-2-4-6-22)26(19-9-13-21(30)14-10-19)23(15-31)28(32-17)36-16-24(34)18-7-11-20(29)12-8-18/h2-14H,16H2,1H3,(H,33,35)

InChI Key

NROPECLLGDLTPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00569817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

621.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.506

Distribution Coefficient, logD

7.506

Water Solubility, LogSw

-5.81

Polar Surface Area

62.414

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 0655-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0655-0117?
Check Price and Availability of 0655-0117, 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 0655-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0655-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0655-0117
  • 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 0655-0117 available by request