1144-0017 Screening compound: butyl 4-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]benzoate

1144-0017 Screening compound: butyl 4-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]benzoate
1144-0017 Screening compound: butyl 4-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1144-0017
butyl 4-[(E)-{[4-(dimethylamino)phenyl]methylidene}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

1144-0017

Molecular Formula

C20H24N2O2 (C20 H24 N2 O2)

Compound Name

butyl 4-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]benzoate

IUPAC name

butyl 4-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]benzoate

SMILES

CCCCOC(c(cc1)ccc1/N=C/c(cc1)ccc1N(C)C)=O

InChI

InChI=1S/C20H24N2O2/c1-4-5-14-24-20(23)17-8-10-18(11-9-17)21-15-16-6-12-19(13-7-16)22(2)3/h6-13,15H,4-5,14H2,1-3H3

InChI Key

VTQCXJLAVUHMME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.856

Distribution Coefficient, logD

4.856

Water Solubility, LogSw

-4.63

Polar Surface Area

32.218

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

1144-0017 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1144-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1144-0017?
Check Price and Availability of 1144-0017, 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 1144-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1144-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1144-0017
  • 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 1144-0017 available by request