3257-1100 Screening compound: 2,4-bis[2-(4-bromophenyl)-2-oxoethyl] quinoline-2,4-dicarboxylate

3257-1100 Screening compound: 2,4-bis[2-(4-bromophenyl)-2-oxoethyl] quinoline-2,4-dicarboxylate
3257-1100 Screening compound: 2,4-bis[2-(4-bromophenyl)-2-oxoethyl] quinoline-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3257-1100
2,4-bis[2-(4-bromophenyl)-2-oxoethyl] quinoline-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

3257-1100

Molecular Formula

C27H17Br2NO6 (C27 H17 Br2 NO6)

Compound Name

2,4-bis[2-(4-bromophenyl)-2-oxoethyl] quinoline-2,4-dicarboxylate

IUPAC name

24-bis[2-(4-bromophenyl)-2-oxoethyl] quinoline-24-dicarboxylate

SMILES

O=C(COC(c1cc(C(OCC(c(cc2)ccc2Br)=O)=O)nc2ccccc12)=O)c(cc1)ccc1Br

InChI

InChI=1S/C27H17Br2NO6/c28-18-9-5-16(6-10-18)24(31)14-35-26(33)21-13-23(30-22-4-2-1-3-20(21)22)27(34)36-15-25(32)17-7-11-19(29)12-8-17/h1-13H,14-15H2

InChI Key

QERSBJDRUKKXAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01046715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

611.24

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

6.040

Distribution Coefficient, logD

6.040

Water Solubility, LogSw

-6.25

Polar Surface Area

76.778

Acid Dissociation Constant (pKa)

22.10

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

3257-1100 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3257-1100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3257-1100?
Check Price and Availability of 3257-1100, 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 3257-1100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3257-1100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3257-1100
  • 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 3257-1100 available by request