3630-0031 Screening compound: 2-(5,5-dimethyl-2-oxooxolan-3-yl)-N-(4-nitrophenyl)acetamide

3630-0031 Screening compound: 2-(5,5-dimethyl-2-oxooxolan-3-yl)-N-(4-nitrophenyl)acetamide
3630-0031 Screening compound: 2-(5,5-dimethyl-2-oxooxolan-3-yl)-N-(4-nitrophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3630-0031
2-(5,5-dimethyl-2-oxooxolan-3-yl)-N-(4-nitrophenyl)acetamide

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

3630-0031

Molecular Formula

C14H16N2O5 (C14 H16 N2 O5)

Compound Name

2-(5,5-dimethyl-2-oxooxolan-3-yl)-N-(4-nitrophenyl)acetamide

IUPAC name

2-(55-dimethyl-2-oxooxolan-3-yl)-N-(4-nitrophenyl)acetamide

SMILES

CC(C)(CC1CC(Nc(cc2)ccc2[N+]([O-])=O)=O)OC1=O

InChI

InChI=1S/C14H16N2O5/c1-14(2)8-9(13(18)21-14)7-12(17)15-10-3-5-11(6-4-10)16(19)20/h3-6,9H,7-8H2,1-2H3,(H,15,17)/t9-/m0/s1

InChI Key

MBGZTKSUFLIELQ-VIFPVBQESA-N

MDL Number (MFCD)

MFCD02640341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.29

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.149

Distribution Coefficient, logD

2.144

Water Solubility, LogSw

-2.85

Polar Surface Area

77.305

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-2.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

3630-0031 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3630-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3630-0031?
Check Price and Availability of 3630-0031, 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 3630-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3630-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3630-0031
  • 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 3630-0031 available by request