3807-2194 Screening compound: (Z)-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}[(3-nitrophenyl)methylidene]amine

3807-2194 Screening compound: (Z)-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}[(3-nitrophenyl)methylidene]amine
3807-2194 Screening compound: (Z)-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}[(3-nitrophenyl)methylidene]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-2194
(Z)-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}[(3-nitrophenyl)methylidene]amine

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

3807-2194

Molecular Formula

C21H24N2O4 (C21 H24 N2 O4)

Compound Name

(Z)-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}[(3-nitrophenyl)methylidene]amine

IUPAC name

(Z)-{[1-(34-dimethoxyphenyl)cyclopentyl]methyl}[(3-nitrophenyl)methylidene]amine

SMILES

COc(ccc(C1(C/N=C\c2cccc([N+]([O-])=O)c2)CCCC1)c1)c1OC

InChI

InChI=1S/C21H24N2O4/c1-26-19-9-8-17(13-20(19)27-2)21(10-3-4-11-21)15-22-14-16-6-5-7-18(12-16)23(24)25/h5-9,12-14H,3-4,10-11,15H2,1-2H3

InChI Key

WTWPVRPPDYNPHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01897529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.312

Distribution Coefficient, logD

4.302

Water Solubility, LogSw

-4.47

Polar Surface Area

57.829

Acid Dissociation Constant (pKa)

25.66

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

3807-2194 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3807-2194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-2194?
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What is the minimum amount of 3807-2194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-2194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-2194
  • 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 3807-2194 available by request