3448-6846 Screening compound: ethyl 4-{3-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate

3448-6846 Screening compound: ethyl 4-{3-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate
3448-6846 Screening compound: ethyl 4-{3-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-6846
ethyl 4-{3-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate

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

3448-6846

Molecular Formula

C24H25BrN2O5 (C24 H25 BrN2 O5)

Compound Name

ethyl 4-{3-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate

IUPAC name

ethyl 4-{3-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-25-dioxopyrrolidin-1-yl}benzoate

SMILES

CCOC(c(cc1)ccc1N(C(CC1N(CC2)CCC2(c(cc2)ccc2Br)O)=O)C1=O)=O

InChI

InChI=1S/C24H25BrN2O5/c1-2-32-23(30)16-3-9-19(10-4-16)27-21(28)15-20(22(27)29)26-13-11-24(31,12-14-26)17-5-7-18(25)8-6-17/h3-10,20,31H,2,11-15H2,1H3/t20-/m0/s1

InChI Key

IIJPGUVYCGCBSL-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD02153524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.077

Distribution Coefficient, logD

3.077

Water Solubility, LogSw

-3.01

Polar Surface Area

67.576

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

3448-6846 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3448-6846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-6846?
Check Price and Availability of 3448-6846, 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 3448-6846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-6846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-6846
  • 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 3448-6846 available by request