1141-0041 Screening compound: N-[3-(4-tert-butylbenzamido)phenyl]-4-methyl-3,5-dinitrobenzamide

1141-0041 Screening compound: N-[3-(4-tert-butylbenzamido)phenyl]-4-methyl-3,5-dinitrobenzamide
1141-0041 Screening compound: N-[3-(4-tert-butylbenzamido)phenyl]-4-methyl-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1141-0041
N-[3-(4-tert-butylbenzamido)phenyl]-4-methyl-3,5-dinitrobenzamide

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

1141-0041

Molecular Formula

C25H24N4O6 (C25 H24 N4 O6)

Compound Name

N-[3-(4-tert-butylbenzamido)phenyl]-4-methyl-3,5-dinitrobenzamide

IUPAC name

N-[3-(4-tert-butylbenzamido)phenyl]-4-methyl-35-dinitrobenzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc1cccc(NC(c2cc([N+]([O-])=O)c(C)c([N+]([O-])=O)c2)=O)c1)=O

InChI

InChI=1S/C25H24N4O6/c1-15-21(28(32)33)12-17(13-22(15)29(34)35)24(31)27-20-7-5-6-19(14-20)26-23(30)16-8-10-18(11-9-16)25(2,3)4/h5-14H,1-4H3,(H,26,30)(H,27,31)

InChI Key

CFHFRHNXAPSJGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.526

Distribution Coefficient, logD

5.508

Water Solubility, LogSw

-5.46

Polar Surface Area

112.582

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

1141-0041 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1141-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1141-0041?
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What is the minimum amount of 1141-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1141-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1141-0041
  • 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 1141-0041 available by request