4513-1222 Screening compound: 3-(pyrrolidine-1-carbonyl)piperidin-2-one

4513-1222 Screening compound: 3-(pyrrolidine-1-carbonyl)piperidin-2-one
4513-1222 Screening compound: 3-(pyrrolidine-1-carbonyl)piperidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4513-1222
3-(pyrrolidine-1-carbonyl)piperidin-2-one

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

4513-1222

Molecular Formula

C10H16N2O2 (C10 H16 N2 O2)

Compound Name

3-(pyrrolidine-1-carbonyl)piperidin-2-one

IUPAC name

3-(pyrrolidine-1-carbonyl)piperidin-2-one

SMILES

O=C(C(CCCN1)C1=O)N1CCCC1

InChI

InChI=1S/C10H16N2O2/c13-9-8(4-3-5-11-9)10(14)12-6-1-2-7-12/h8H,1-7H2,(H,11,13)/t8-/m1/s1

InChI Key

ZYGWWZZWDUWLPQ-MRVPVSSYSA-N

MDL Number (MFCD)

MFCD01416374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

196.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.013

Distribution Coefficient, logD

-0.013

Water Solubility, LogSw

-0.75

Polar Surface Area

42.525

Acid Dissociation Constant (pKa)

13.96

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

80.00

4513-1222 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4513-1222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4513-1222?
Check Price and Availability of 4513-1222, 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 4513-1222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4513-1222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4513-1222
  • 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 4513-1222 available by request