P511-0035 Screening compound: tert-butyl 2-[2-oxo-5-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-1-yl]acetate

P511-0035 Screening compound: tert-butyl 2-[2-oxo-5-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-1-yl]acetate
P511-0035 Screening compound: tert-butyl 2-[2-oxo-5-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound P511-0035
tert-butyl 2-[2-oxo-5-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-1-yl]acetate

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

P511-0035

Molecular Formula

C15H22N2O5S (C15 H22 N2 O5 S)

Compound Name

tert-butyl 2-[2-oxo-5-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-1-yl]acetate

IUPAC name

tert-butyl 2-[2-oxo-5-(pyrrolidine-1-sulfonyl)-12-dihydropyridin-1-yl]acetate

SMILES

CC(C)(C)OC(CN(C=C(C=C1)S(N2CCCC2)(=O)=O)C1=O)=O

InChI

InChI=1S/C15H22N2O5S/c1-15(2,3)22-14(19)11-16-10-12(6-7-13(16)18)23(20,21)17-8-4-5-9-17/h6-7,10H,4-5,8-9,11H2,1-3H3

InChI Key

BCUIQYFSLWDRFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10288250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.039

Distribution Coefficient, logD

1.039

Water Solubility, LogSw

-1.57

Polar Surface Area

68.366

Acid Dissociation Constant (pKa)

26.87

Base Dissociation Constant (pKb)

-3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

P511-0035 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P511-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P511-0035?
Check Price and Availability of P511-0035, 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 P511-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P511-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P511-0035
  • 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 P511-0035 available by request