Y031-9331 Screening compound: tert-butyl N-[3-(2,5-dioxo-1-pyrrolidinyl)propyl]carbamate

Y031-9331 Screening compound: tert-butyl N-[3-(2,5-dioxo-1-pyrrolidinyl)propyl]carbamate
Y031-9331 Screening compound: tert-butyl N-[3-(2,5-dioxo-1-pyrrolidinyl)propyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-9331
tert-butyl N-[3-(2,5-dioxo-1-pyrrolidinyl)propyl]carbamate

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

Y031-9331

Molecular Formula

C12H20N2O4 (C12 H20 N2 O4)

Compound Name

tert-butyl N-[3-(2,5-dioxo-1-pyrrolidinyl)propyl]carbamate

IUPAC name

tert-butyl N-[3-(25-dioxopyrrolidin-1-yl)propyl]carbamate

SMILES

CC(C)(C)OC(NCCCN(C(CC1)=O)C1=O)=O

InChI

InChI=1S/C12H20N2O4/c1-12(2,3)18-11(17)13-7-4-8-14-9(15)5-6-10(14)16/h4-8H2,1-3H3,(H,13,17)

InChI Key

SCXANDWRJJIEJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15147588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.722

Distribution Coefficient, logD

0.722

Water Solubility, LogSw

-0.50

Polar Surface Area

62.285

Acid Dissociation Constant (pKa)

15.79

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

Y031-9331 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y031-9331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-9331?
Check Price and Availability of Y031-9331, 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 Y031-9331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-9331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-9331
  • 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 Y031-9331 available by request