8005-9176 Screening compound: 4-(2',5'-dioxo-1,3'-bipyrrolidin-1'-yl)benzoic acid

8005-9176 Screening compound: 4-(2',5'-dioxo-1,3'-bipyrrolidin-1'-yl)benzoic acid
8005-9176 Screening compound: 4-(2',5'-dioxo-1,3'-bipyrrolidin-1'-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-9176
4-(2',5'-dioxo-1,3'-bipyrrolidin-1'-yl)benzoic acid

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

8005-9176

Molecular Formula

C15H16N2O4 (C15 H16 N2 O4)

Compound Name

4-(2',5'-dioxo-1,3'-bipyrrolidin-1'-yl)benzoic acid

IUPAC name

4-{2'5'-dioxo-[13'-bipyrrolidin]-1'-yl}benzoic acid

SMILES

OC(c(cc1)ccc1N(C(CC1N2CCCC2)=O)C1=O)=O

InChI

InChI=1S/C15H16N2O4/c18-13-9-12(16-7-1-2-8-16)14(19)17(13)11-5-3-10(4-6-11)15(20)21/h3-6,12H,1-2,7-9H2,(H,20,21)/t12-/m0/s1

InChI Key

PPRWDRNVKOKKQB-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD00758926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.508

Distribution Coefficient, logD

-1.887

Water Solubility, LogSw

-1.32

Polar Surface Area

60.762

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

8005-9176 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8005-9176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-9176?
Check Price and Availability of 8005-9176, 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 8005-9176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-9176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-9176
  • 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 8005-9176 available by request