4130-5027 Screening compound: N1,N3-dimethyl-5-nitro-N1,N3-diphenylbenzene-1,3-dicarboxamide

4130-5027 Screening compound: N1,N3-dimethyl-5-nitro-N1,N3-diphenylbenzene-1,3-dicarboxamide
4130-5027 Screening compound: N1,N3-dimethyl-5-nitro-N1,N3-diphenylbenzene-1,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-5027
N1,N3-dimethyl-5-nitro-N1,N3-diphenylbenzene-1,3-dicarboxamide

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

4130-5027

Molecular Formula

C22H19N3O4 (C22 H19 N3 O4)

Compound Name

N1,N3-dimethyl-5-nitro-N1,N3-diphenylbenzene-1,3-dicarboxamide

IUPAC name

N1N3-dimethyl-5-nitro-N1N3-diphenylbenzene-13-dicarboxamide

SMILES

CN(C(c1cc([N+]([O-])=O)cc(C(N(C)c2ccccc2)=O)c1)=O)c1ccccc1

InChI

InChI=1S/C22H19N3O4/c1-23(18-9-5-3-6-10-18)21(26)16-13-17(15-20(14-16)25(28)29)22(27)24(2)19-11-7-4-8-12-19/h3-15H,1-2H3

InChI Key

PPMZTGKRXCZIRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02043903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.154

Distribution Coefficient, logD

3.154

Water Solubility, LogSw

-3.43

Polar Surface Area

64.358

Acid Dissociation Constant (pKa)

30.64

Base Dissociation Constant (pKb)

-4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4130-5027 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4130-5027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-5027?
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What is the minimum amount of 4130-5027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-5027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-5027
  • 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 4130-5027 available by request