4296-0130 Screening compound: N-(4-bromophenyl)-2-{[3-cyano-4-(3-methylthiophen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide

4296-0130 Screening compound: N-(4-bromophenyl)-2-{[3-cyano-4-(3-methylthiophen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
4296-0130 Screening compound: N-(4-bromophenyl)-2-{[3-cyano-4-(3-methylthiophen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4296-0130
N-(4-bromophenyl)-2-{[3-cyano-4-(3-methylthiophen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide

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

4296-0130

Molecular Formula

C19H16BrN3O2S2 (C19 H16 BrN3 O2 S2)

Compound Name

N-(4-bromophenyl)-2-{[3-cyano-4-(3-methylthiophen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide

IUPAC name

N-(4-bromophenyl)-2-{[3-cyano-4-(3-methylthiophen-2-yl)-6-oxo-1456-tetrahydropyridin-2-yl]sulfanyl}acetamide

SMILES

Cc1c(C(CC(N2)=O)C(C#N)=C2SCC(Nc(cc2)ccc2Br)=O)scc1

InChI

InChI=1S/C19H16BrN3O2S2/c1-11-6-7-26-18(11)14-8-16(24)23-19(15(14)9-21)27-10-17(25)22-13-4-2-12(20)3-5-13/h2-7,14H,8,10H2,1H3,(H,22,25)(H,23,24)/t14-/m0/s1

InChI Key

MNOVJRFNNBGTSK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01464775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.003

Distribution Coefficient, logD

3.945

Water Solubility, LogSw

-4.07

Polar Surface Area

65.083

Acid Dissociation Constant (pKa)

8.25

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with 4296-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4296-0130?
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What is the minimum amount of 4296-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4296-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4296-0130
  • 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 4296-0130 available by request