2154-1016 Screening compound: N-[4-(4-tert-butylbenzamido)phenyl]-4-nitrobenzamide

2154-1016 Screening compound: N-[4-(4-tert-butylbenzamido)phenyl]-4-nitrobenzamide
2154-1016 Screening compound: N-[4-(4-tert-butylbenzamido)phenyl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2154-1016
N-[4-(4-tert-butylbenzamido)phenyl]-4-nitrobenzamide

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

2154-1016

Molecular Formula

C24H23N3O4 (C24 H23 N3 O4)

Compound Name

N-[4-(4-tert-butylbenzamido)phenyl]-4-nitrobenzamide

IUPAC name

N-[4-(4-tert-butylbenzamido)phenyl]-4-nitrobenzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc(cc1)ccc1NC(c(cc1)ccc1[N+]([O-])=O)=O)=O

InChI

InChI=1S/C24H23N3O4/c1-24(2,3)18-8-4-16(5-9-18)22(28)25-19-10-12-20(13-11-19)26-23(29)17-6-14-21(15-7-17)27(30)31/h4-15H,1-3H3,(H,25,28)(H,26,29)

InChI Key

IUCBHIPVSFBHPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.572

Distribution Coefficient, logD

5.572

Water Solubility, LogSw

-5.50

Polar Surface Area

79.802

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

2154-1016 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 2154-1016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2154-1016?
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What is the minimum amount of 2154-1016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2154-1016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2154-1016
  • 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 2154-1016 available by request