2368-1431 Screening compound: ethyl 4-{2,5-dimethyl-3-[(E)-{[(naphthalen-2-yl)formamido]imino}methyl]-1H-pyrrol-1-yl}benzoate

2368-1431 Screening compound: ethyl 4-{2,5-dimethyl-3-[(E)-{[(naphthalen-2-yl)formamido]imino}methyl]-1H-pyrrol-1-yl}benzoate
2368-1431 Screening compound: ethyl 4-{2,5-dimethyl-3-[(E)-{[(naphthalen-2-yl)formamido]imino}methyl]-1H-pyrrol-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-1431
ethyl 4-{2,5-dimethyl-3-[(E)-{[(naphthalen-2-yl)formamido]imino}methyl]-1H-pyrrol-1-yl}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

2368-1431

Molecular Formula

C27H25N3O3 (C27 H25 N3 O3)

Compound Name

ethyl 4-{2,5-dimethyl-3-[(E)-{[(naphthalen-2-yl)formamido]imino}methyl]-1H-pyrrol-1-yl}benzoate

IUPAC name

ethyl 4-{25-dimethyl-3-[(E)-{[(naphthalen-2-yl)formamido]imino}methyl]-1H-pyrrol-1-yl}benzoate

SMILES

CCOC(c(cc1)ccc1-n1c(C)c(/C=N/NC(c2cc3ccccc3cc2)=O)cc1C)=O

InChI

InChI=1S/C27H25N3O3/c1-4-33-27(32)21-11-13-25(14-12-21)30-18(2)15-24(19(30)3)17-28-29-26(31)23-10-9-20-7-5-6-8-22(20)16-23/h5-17H,4H2,1-3H3,(H,29,31)

InChI Key

IGQDDMDVZNLRCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01611382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.948

Distribution Coefficient, logD

5.945

Water Solubility, LogSw

-6.42

Polar Surface Area

58.701

Acid Dissociation Constant (pKa)

9.69

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

2368-1431 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 2368-1431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2368-1431?
Check Price and Availability of 2368-1431, 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 2368-1431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-1431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-1431
  • 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 2368-1431 available by request