3257-1129 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 1,2,3,4-tetrahydro-9-acridinecarboxylate

3257-1129 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 1,2,3,4-tetrahydro-9-acridinecarboxylate
3257-1129 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 1,2,3,4-tetrahydro-9-acridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3257-1129
2-(4-bromophenyl)-2-oxoethyl 1,2,3,4-tetrahydro-9-acridinecarboxylate

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

3257-1129

Molecular Formula

C22H18BrNO3 (C22 H18 BrNO3)

Compound Name

2-(4-bromophenyl)-2-oxoethyl 1,2,3,4-tetrahydro-9-acridinecarboxylate

IUPAC name

2-(4-bromophenyl)-2-oxoethyl 1234-tetrahydroacridine-9-carboxylate

SMILES

O=C(COC(c1c(CCCC2)c2nc2ccccc12)=O)c(cc1)ccc1Br

InChI

InChI=1S/C22H18BrNO3/c23-15-11-9-14(10-12-15)20(25)13-27-22(26)21-16-5-1-3-7-18(16)24-19-8-4-2-6-17(19)21/h1,3,5,7,9-12H,2,4,6,8,13H2

InChI Key

YIMZYNMZPZDKKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01046735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.184

Distribution Coefficient, logD

5.139

Water Solubility, LogSw

-5.76

Polar Surface Area

44.095

Acid Dissociation Constant (pKa)

20.19

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.73

3257-1129 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3257-1129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3257-1129?
Check Price and Availability of 3257-1129, 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 3257-1129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3257-1129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3257-1129
  • 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 3257-1129 available by request