3366-9440 Screening compound: propan-2-yl 4-ethyl-5-methyl-2-[2-(4-methylphenyl)quinoline-4-amido]thiophene-3-carboxylate

3366-9440 Screening compound: propan-2-yl 4-ethyl-5-methyl-2-[2-(4-methylphenyl)quinoline-4-amido]thiophene-3-carboxylate
3366-9440 Screening compound: propan-2-yl 4-ethyl-5-methyl-2-[2-(4-methylphenyl)quinoline-4-amido]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3366-9440
propan-2-yl 4-ethyl-5-methyl-2-[2-(4-methylphenyl)quinoline-4-amido]thiophene-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

3366-9440

Molecular Formula

C28H28N2O3S (C28 H28 N2 O3 S)

Compound Name

propan-2-yl 4-ethyl-5-methyl-2-[2-(4-methylphenyl)quinoline-4-amido]thiophene-3-carboxylate

IUPAC name

propan-2-yl 4-ethyl-5-methyl-2-[2-(4-methylphenyl)quinoline-4-amido]thiophene-3-carboxylate

SMILES

CCc1c(C)sc(NC(c2cc(-c3ccc(C)cc3)nc3ccccc23)=O)c1C(OC(C)C)=O

InChI

InChI=1S/C28H28N2O3S/c1-6-20-18(5)34-27(25(20)28(32)33-16(2)3)30-26(31)22-15-24(19-13-11-17(4)12-14-19)29-23-10-8-7-9-21(22)23/h7-16H,6H2,1-5H3,(H,30,31)

InChI Key

TVDKKESRNMFMNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01359063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.638

Distribution Coefficient, logD

5.678

Water Solubility, LogSw

-5.91

Polar Surface Area

51.616

Acid Dissociation Constant (pKa)

5.45

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3366-9440 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer

References: we are preparing a list of scientific research reports with 3366-9440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3366-9440?
Check Price and Availability of 3366-9440, 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 3366-9440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3366-9440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3366-9440
  • 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 3366-9440 available by request