5390-1476 Screening compound: ethyl 2-{3-[2-(4-tert-butylphenoxy)ethyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetate

5390-1476 Screening compound: ethyl 2-{3-[2-(4-tert-butylphenoxy)ethyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetate
5390-1476 Screening compound: ethyl 2-{3-[2-(4-tert-butylphenoxy)ethyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5390-1476
ethyl 2-{3-[2-(4-tert-butylphenoxy)ethyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetate

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

5390-1476

Molecular Formula

C23H29N3O3 (C23 H29 N3 O3)

Compound Name

ethyl 2-{3-[2-(4-tert-butylphenoxy)ethyl]-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl}acetate

IUPAC name

ethyl 2-{3-[2-(4-tert-butylphenoxy)ethyl]-2-imino-23-dihydro-1H-13-benzodiazol-1-yl}acetate

SMILES

CCOC(CN(c(cccc1)c1N1CCOc2ccc(C(C)(C)C)cc2)C1=N)=O

InChI

InChI=1S/C23H29N3O3/c1-5-28-21(27)16-26-20-9-7-6-8-19(20)25(22(26)24)14-15-29-18-12-10-17(11-13-18)23(2,3)4/h6-13,24H,5,14-16H2,1-4H3

InChI Key

SLMLUOYVRDSZAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03302135

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

395.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.139

Distribution Coefficient, logD

4.972

Water Solubility, LogSw

-4.92

Polar Surface Area

49.409

Acid Dissociation Constant (pKa)

24.40

Base Dissociation Constant (pKb)

7.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

5390-1476 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5390-1476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5390-1476?
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What is the minimum amount of 5390-1476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5390-1476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5390-1476
  • 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 5390-1476 available by request