5260-0076 Screening compound: ethyl 4-({[4-(dimethylamino)phenyl]methyl}amino)benzoate

5260-0076 Screening compound: ethyl 4-({[4-(dimethylamino)phenyl]methyl}amino)benzoate
5260-0076 Screening compound: ethyl 4-({[4-(dimethylamino)phenyl]methyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5260-0076
ethyl 4-({[4-(dimethylamino)phenyl]methyl}amino)benzoate

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

5260-0076

Molecular Formula

C18H22N2O2 (C18 H22 N2 O2)

Compound Name

ethyl 4-({[4-(dimethylamino)phenyl]methyl}amino)benzoate

IUPAC name

ethyl 4-({[4-(dimethylamino)phenyl]methyl}amino)benzoate

SMILES

CCOC(c(cc1)ccc1NCc(cc1)ccc1N(C)C)=O

InChI

InChI=1S/C18H22N2O2/c1-4-22-18(21)15-7-9-16(10-8-15)19-13-14-5-11-17(12-6-14)20(2)3/h5-12,19H,4,13H2,1-3H3

InChI Key

PFRXJEDCOMKDBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00032375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.991

Distribution Coefficient, logD

3.975

Water Solubility, LogSw

-4.09

Polar Surface Area

34.031

Acid Dissociation Constant (pKa)

19.14

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

5260-0076 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 5260-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5260-0076?
Check Price and Availability of 5260-0076, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5260-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5260-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5260-0076
  • 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 5260-0076 available by request