3360-9454 Screening compound: 2,4-dimethyl 5-[2-(3-ethoxyphenyl)quinoline-4-amido]-3-methylthiophene-2,4-dicarboxylate

3360-9454 Screening compound: 2,4-dimethyl 5-[2-(3-ethoxyphenyl)quinoline-4-amido]-3-methylthiophene-2,4-dicarboxylate
3360-9454 Screening compound: 2,4-dimethyl 5-[2-(3-ethoxyphenyl)quinoline-4-amido]-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3360-9454
2,4-dimethyl 5-[2-(3-ethoxyphenyl)quinoline-4-amido]-3-methylthiophene-2,4-dicarboxylate

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

3360-9454

Molecular Formula

C27H24N2O6S (C27 H24 N2 O6 S)

Compound Name

2,4-dimethyl 5-[2-(3-ethoxyphenyl)quinoline-4-amido]-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-dimethyl 5-[2-(3-ethoxyphenyl)quinoline-4-amido]-3-methylthiophene-24-dicarboxylate

SMILES

CCOc1cccc(-c2nc3ccccc3c(C(Nc3c(C(OC)=O)c(C)c(C(OC)=O)s3)=O)c2)c1

InChI

InChI=1S/C27H24N2O6S/c1-5-35-17-10-8-9-16(13-17)21-14-19(18-11-6-7-12-20(18)28-21)24(30)29-25-22(26(31)33-3)15(2)23(36-25)27(32)34-4/h6-14H,5H2,1-4H3,(H,29,30)

InChI Key

VRFCMOQLWSHJEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01922534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.666

Distribution Coefficient, logD

3.903

Water Solubility, LogSw

-5.71

Polar Surface Area

80.654

Acid Dissociation Constant (pKa)

5.64

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

3360-9454 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3360-9454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3360-9454?
Check Price and Availability of 3360-9454, 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 3360-9454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3360-9454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3360-9454
  • 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 3360-9454 available by request