0086-0086 Screening compound: N-(4-tert-butyl-2-nitrophenyl)acetamide

0086-0086 Screening compound: N-(4-tert-butyl-2-nitrophenyl)acetamide
0086-0086 Screening compound: N-(4-tert-butyl-2-nitrophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0086-0086
N-(4-tert-butyl-2-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

0086-0086

Molecular Formula

C12H16N2O3 (C12 H16 N2 O3)

Compound Name

N-(4-tert-butyl-2-nitrophenyl)acetamide

IUPAC name

N-(4-tert-butyl-2-nitrophenyl)acetamide

SMILES

CC(C)(C)c(cc1)cc([N+]([O-])=O)c1NC(C)=O

InChI

InChI=1S/C12H16N2O3/c1-8(15)13-10-6-5-9(12(2,3)4)7-11(10)14(16)17/h5-7H,1-4H3,(H,13,15)

InChI Key

ZKEOXGOYGVYZJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00058689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.681

Distribution Coefficient, logD

2.670

Water Solubility, LogSw

-3.24

Polar Surface Area

55.883

Acid Dissociation Constant (pKa)

9.00

Base Dissociation Constant (pKb)

-5.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

0086-0086 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0086-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0086-0086?
Check Price and Availability of 0086-0086, 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 0086-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0086-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0086-0086
  • 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 0086-0086 available by request