3448-4323 Screening compound: 2-({4-[4-(benzyloxy)-3-methoxyphenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(4-bromophenyl)acetamide

3448-4323 Screening compound: 2-({4-[4-(benzyloxy)-3-methoxyphenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(4-bromophenyl)acetamide
3448-4323 Screening compound: 2-({4-[4-(benzyloxy)-3-methoxyphenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(4-bromophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-4323
2-({4-[4-(benzyloxy)-3-methoxyphenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(4-bromophenyl)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

3448-4323

Molecular Formula

C28H24BrN3O4S (C28 H24 BrN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(C(CC(N1)=O)C(C#N)=C1SCC(Nc(cc1)ccc1Br)=O)cc1)c1OCc1ccccc1

InChI

InChI=1S/C28H24BrN3O4S/c1-35-25-13-19(7-12-24(25)36-16-18-5-3-2-4-6-18)22-14-26(33)32-28(23(22)15-30)37-17-27(34)31-21-10-8-20(29)9-11-21/h2-13,22H,14,16-17H2,1H3,(H,31,34)(H,32,33)/t22-/m1/s1

InChI Key

ONPQJEYSFRXJPW-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD02642657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

578.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.977

Distribution Coefficient, logD

4.922

Water Solubility, LogSw

-4.94

Polar Surface Area

79.010

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

-8.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

3448-4323 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3448-4323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-4323?
Check Price and Availability of 3448-4323, 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 3448-4323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-4323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-4323
  • 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 3448-4323 available by request