6049-2253 Screening compound: 3,4,5-trimethoxy-N-[(2E)-3-methyl-1-(3,4,5-trimethoxybenzoyl)-1,2-dihydropyridin-2-ylidene]benzamide

6049-2253 Screening compound: 3,4,5-trimethoxy-N-[(2E)-3-methyl-1-(3,4,5-trimethoxybenzoyl)-1,2-dihydropyridin-2-ylidene]benzamide
6049-2253 Screening compound: 3,4,5-trimethoxy-N-[(2E)-3-methyl-1-(3,4,5-trimethoxybenzoyl)-1,2-dihydropyridin-2-ylidene]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-2253
3,4,5-trimethoxy-N-[(2E)-3-methyl-1-(3,4,5-trimethoxybenzoyl)-1,2-dihydropyridin-2-ylidene]benzamide

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

6049-2253

Molecular Formula

C26H28N2O8 (C26 H28 N2 O8)

Compound Name

3,4,5-trimethoxy-N-[(2E)-3-methyl-1-(3,4,5-trimethoxybenzoyl)-1,2-dihydropyridin-2-ylidene]benzamide

IUPAC name

345-trimethoxy-N-[(2E)-3-methyl-1-(345-trimethoxybenzoyl)-12-dihydropyridin-2-ylidene]benzamide

SMILES

CC1=CC=CN(C(c(cc2OC)cc(OC)c2OC)=O)/C1=N/C(c(cc1OC)cc(OC)c1OC)=O

InChI

InChI=1S/C26H28N2O8/c1-15-9-8-10-28(26(30)17-13-20(33-4)23(36-7)21(14-17)34-5)24(15)27-25(29)16-11-18(31-2)22(35-6)19(12-16)32-3/h8-14H,1-7H3

InChI Key

IUSFPAVMVUSQNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02176141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.552

Distribution Coefficient, logD

2.547

Water Solubility, LogSw

-2.50

Polar Surface Area

83.025

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

6049-2253 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6049-2253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-2253?
Check Price and Availability of 6049-2253, 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 6049-2253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-2253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-2253
  • 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 6049-2253 available by request