3331-3974 Screening compound: N-(4-bromophenyl)-2-{[3-cyano-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide

3331-3974 Screening compound: N-(4-bromophenyl)-2-{[3-cyano-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
3331-3974 Screening compound: N-(4-bromophenyl)-2-{[3-cyano-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3331-3974
N-(4-bromophenyl)-2-{[3-cyano-4-(3-nitrophenyl)-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

3331-3974

Molecular Formula

C20H15BrN4O4S (C20 H15 BrN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

N#CC(C(CC(N1)=O)c2cc([N+]([O-])=O)ccc2)=C1SCC(Nc(cc1)ccc1Br)=O

InChI

InChI=1S/C20H15BrN4O4S/c21-13-4-6-14(7-5-13)23-19(27)11-30-20-17(10-22)16(9-18(26)24-20)12-2-1-3-15(8-12)25(28)29/h1-8,16H,9,11H2,(H,23,27)(H,24,26)/t16-/m1/s1

InChI Key

NIDHOFPZXAWKAT-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD02240533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.33

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.646

Distribution Coefficient, logD

3.591

Water Solubility, LogSw

-4.03

Polar Surface Area

97.446

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 3331-3974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3331-3974?
Check Price and Availability of 3331-3974, 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 3331-3974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3331-3974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3331-3974
  • 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 3331-3974 available by request