1141-0042 Screening compound: 4-methyl-N-(naphthalen-1-yl)-3,5-dinitrobenzamide

1141-0042 Screening compound: 4-methyl-N-(naphthalen-1-yl)-3,5-dinitrobenzamide
1141-0042 Screening compound: 4-methyl-N-(naphthalen-1-yl)-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1141-0042
4-methyl-N-(naphthalen-1-yl)-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

1141-0042

Molecular Formula

C18H13N3O5 (C18 H13 N3 O5)

Compound Name

4-methyl-N-(naphthalen-1-yl)-3,5-dinitrobenzamide

IUPAC name

4-methyl-N-(naphthalen-1-yl)-35-dinitrobenzamide

SMILES

Cc(c([N+]([O-])=O)cc(C(Nc1cccc2ccccc12)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C18H13N3O5/c1-11-16(20(23)24)9-13(10-17(11)21(25)26)18(22)19-15-8-4-6-12-5-2-3-7-14(12)15/h2-10H,1H3,(H,19,22)

InChI Key

PIGYPGZIOWKNMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01011364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.32

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.664

Distribution Coefficient, logD

3.589

Water Solubility, LogSw

-4.09

Polar Surface Area

88.521

Acid Dissociation Constant (pKa)

8.12

Base Dissociation Constant (pKb)

-5.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

1141-0042 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 1141-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1141-0042?
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What is the minimum amount of 1141-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1141-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1141-0042
  • 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 1141-0042 available by request