1114-0256 Screening compound: N-(4-tert-butyl-2-nitrophenyl)-2,2-dimethylpropanamide

1114-0256 Screening compound: N-(4-tert-butyl-2-nitrophenyl)-2,2-dimethylpropanamide
1114-0256 Screening compound: N-(4-tert-butyl-2-nitrophenyl)-2,2-dimethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1114-0256
N-(4-tert-butyl-2-nitrophenyl)-2,2-dimethylpropanamide

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

1114-0256

Molecular Formula

C15H22N2O3 (C15 H22 N2 O3)

Compound Name

N-(4-tert-butyl-2-nitrophenyl)-2,2-dimethylpropanamide

IUPAC name

N-(4-tert-butyl-2-nitrophenyl)-22-dimethylpropanamide

SMILES

CC(C)(C)C(Nc(ccc(C(C)(C)C)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C15H22N2O3/c1-14(2,3)10-7-8-11(12(9-10)17(19)20)16-13(18)15(4,5)6/h7-9H,1-6H3,(H,16,18)

InChI Key

JXHSUVBIZLPJSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00489345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.242

Distribution Coefficient, logD

4.184

Water Solubility, LogSw

-4.40

Polar Surface Area

55.984

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

-5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

1114-0256 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1114-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1114-0256?
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What is the minimum amount of 1114-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1114-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1114-0256
  • 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 1114-0256 available by request