3257-3124 Screening compound: 3,4-bis[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-methylquinoline-3,4-dicarboxylate

3257-3124 Screening compound: 3,4-bis[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-methylquinoline-3,4-dicarboxylate
3257-3124 Screening compound: 3,4-bis[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-methylquinoline-3,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3257-3124
3,4-bis[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-methylquinoline-3,4-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

3257-3124

Molecular Formula

C32H29NO6 (C32 H29 NO6)

Compound Name

3,4-bis[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-methylquinoline-3,4-dicarboxylate

IUPAC name

34-bis[2-(25-dimethylphenyl)-2-oxoethyl] 2-methylquinoline-34-dicarboxylate

SMILES

Cc1cc(C(COC(c2c(C(OCC(c3c(C)ccc(C)c3)=O)=O)c3ccccc3nc2C)=O)=O)c(C)cc1

InChI

InChI=1S/C32H29NO6/c1-18-10-12-20(3)24(14-18)27(34)16-38-31(36)29-22(5)33-26-9-7-6-8-23(26)30(29)32(37)39-17-28(35)25-15-19(2)11-13-21(25)4/h6-15H,16-17H2,1-5H3

InChI Key

HTWDDRAWYOLVJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01885623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.233

Distribution Coefficient, logD

6.233

Water Solubility, LogSw

-5.69

Polar Surface Area

77.355

Acid Dissociation Constant (pKa)

22.34

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.90

3257-3124 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3257-3124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3257-3124?
Check Price and Availability of 3257-3124, 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 3257-3124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3257-3124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3257-3124
  • 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 3257-3124 available by request