S720-2228 Screening compound: N1-tert-butyl-4-phenoxypyrrolidine-1,2-dicarboxamide

S720-2228 Screening compound: N1-tert-butyl-4-phenoxypyrrolidine-1,2-dicarboxamide
S720-2228 Screening compound: N1-tert-butyl-4-phenoxypyrrolidine-1,2-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S720-2228
N1-tert-butyl-4-phenoxypyrrolidine-1,2-dicarboxamide

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

S720-2228

Molecular Formula

C16H23N3O3 (C16 H23 N3 O3)

Compound Name

N1-tert-butyl-4-phenoxypyrrolidine-1,2-dicarboxamide

IUPAC name

(2S4S)-N1-tert-butyl-4-phenoxypyrrolidine-12-dicarboxamide

SMILES

CC(C)(C)NC(N(C[C@H](C1)Oc2ccccc2)[C@@H]1C(N)=O)=O

InChI

InChI=1S/C16H23N3O3/c1-16(2,3)18-15(21)19-10-12(9-13(19)14(17)20)22-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H2,17,20)(H,18,21)/t12-,13+/m1/s1

InChI Key

KPSUZIPHHOXJMX-OLZOCXBDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.719

Distribution Coefficient, logD

1.719

Water Solubility, LogSw

-2.10

Polar Surface Area

66.439

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S720-2228 in Drug Discovery

Included in Screening Libraries

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

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with S720-2228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S720-2228?
Check Price and Availability of S720-2228, 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 S720-2228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S720-2228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S720-2228
  • 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 S720-2228 available by request