3379-3442 Screening compound: N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}-3,5-dinitrobenzamide

3379-3442 Screening compound: N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}-3,5-dinitrobenzamide
3379-3442 Screening compound: N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-3442
N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]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

3379-3442

Molecular Formula

C21H23N3O7 (C21 H23 N3 O7)

Compound Name

N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}-3,5-dinitrobenzamide

IUPAC name

N-{[1-(34-dimethoxyphenyl)cyclopentyl]methyl}-35-dinitrobenzamide

SMILES

COc(ccc(C1(CNC(c2cc([N+]([O-])=O)cc([N+]([O-])=O)c2)=O)CCCC1)c1)c1OC

InChI

InChI=1S/C21H23N3O7/c1-30-18-6-5-15(11-19(18)31-2)21(7-3-4-8-21)13-22-20(25)14-9-16(23(26)27)12-17(10-14)24(28)29/h5-6,9-12H,3-4,7-8,13H2,1-2H3,(H,22,25)

InChI Key

QZIGJPHBMDXUDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01902828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.43

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.824

Distribution Coefficient, logD

3.823

Water Solubility, LogSw

-4.10

Polar Surface Area

106.962

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

-5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

3379-3442 in Drug Discovery

Included in Screening Libraries

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 3379-3442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-3442?
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What is the minimum amount of 3379-3442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-3442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-3442
  • 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 3379-3442 available by request