8006-4625 Screening compound: 1-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid

8006-4625 Screening compound: 1-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
8006-4625 Screening compound: 1-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4625
1-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic 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

8006-4625

Molecular Formula

C16H17ClN2O4 (C16 H17 ClN2 O4)

Compound Name

1-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid

IUPAC name

1-[1-(4-chlorophenyl)-25-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid

SMILES

OC(C(CC1)CCN1C(CC(N1c(cc2)ccc2Cl)=O)C1=O)=O

InChI

InChI=1S/C16H17ClN2O4/c17-11-1-3-12(4-2-11)19-14(20)9-13(15(19)21)18-7-5-10(6-8-18)16(22)23/h1-4,10,13H,5-9H2,(H,22,23)/t13-/m1/s1

InChI Key

NJVDTDHZCYROLK-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD00759092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.77

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

0.274

Distribution Coefficient, logD

-2.286

Water Solubility, LogSw

-1.88

Polar Surface Area

60.396

Acid Dissociation Constant (pKa)

4.84

Base Dissociation Constant (pKb)

4.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

8006-4625 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Soluble Diversity Library (15920 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 8006-4625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4625?
Check Price and Availability of 8006-4625, 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 8006-4625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4625
  • 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 8006-4625 available by request