V009-4764 Screening compound: ethyl 4-{4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]anilino}-4-oxobutanoate

V009-4764 Screening compound: ethyl 4-{4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]anilino}-4-oxobutanoate
V009-4764 Screening compound: ethyl 4-{4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]anilino}-4-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-4764
ethyl 4-{4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]anilino}-4-oxobutanoate

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

V009-4764

Molecular Formula

C24H28N4O5 (C24 H28 N4 O5)

Compound Name

ethyl 4-{4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]anilino}-4-oxobutanoate

IUPAC name

ethyl 3-({4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1H-124-triazol-1-yl]phenyl}carbamoyl)propanoate

SMILES

CCOC(CCC(Nc(cc1)ccc1-n(c(-c1c(C)cccc1)n1)nc1OCCOC)=O)=O

InChI

InChI=1S/C24H28N4O5/c1-4-32-22(30)14-13-21(29)25-18-9-11-19(12-10-18)28-23(20-8-6-5-7-17(20)2)26-24(27-28)33-16-15-31-3/h5-12H,4,13-16H2,1-3H3,(H,25,29)

InChI Key

MNNZECHGXOHVNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19762398

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

452.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.067

Distribution Coefficient, logD

3.067

Water Solubility, LogSw

-3.50

Polar Surface Area

82.758

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with V009-4764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-4764?
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What is the minimum amount of V009-4764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-4764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-4764
  • 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 V009-4764 available by request