5408-1681 Screening compound: methyl 2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1H,4H,5H-indeno[1,2-b]pyridine-3-carboxylate

5408-1681 Screening compound: methyl 2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1H,4H,5H-indeno[1,2-b]pyridine-3-carboxylate
5408-1681 Screening compound: methyl 2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1H,4H,5H-indeno[1,2-b]pyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-1681
methyl 2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1H,4H,5H-indeno[1,2-b]pyridine-3-carboxylate

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

5408-1681

Molecular Formula

C24H23NO6 (C24 H23 NO6)

Compound Name

methyl 2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1H,4H,5H-indeno[1,2-b]pyridine-3-carboxylate

IUPAC name

methyl 2-methyl-5-oxo-4-(345-trimethoxyphenyl)-1H4H5H-indeno[12-b]pyridine-3-carboxylate

SMILES

CC(NC(c1c2cccc1)=C(C1c(cc3OC)cc(OC)c3OC)C2=O)=C1C(OC)=O

InChI

InChI=1S/C24H23NO6/c1-12-18(24(27)31-5)19(13-10-16(28-2)23(30-4)17(11-13)29-3)20-21(25-12)14-8-6-7-9-15(14)22(20)26/h6-11,19,25H,1-5H3/t19-/m0/s1

InChI Key

ZBELDSAMAVXNCS-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02218811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.307

Distribution Coefficient, logD

-0.708

Water Solubility, LogSw

-3.90

Polar Surface Area

68.224

Acid Dissociation Constant (pKa)

3.39

Base Dissociation Constant (pKb)

-6.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

5408-1681 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5408-1681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-1681?
Check Price and Availability of 5408-1681, 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 5408-1681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-1681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-1681
  • 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 5408-1681 available by request