V026-6225 Screening compound: ethyl 4-[3-(1-methyl-1H-indol-3-yl)-3-(4-methylphenyl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate

V026-6225 Screening compound: ethyl 4-[3-(1-methyl-1H-indol-3-yl)-3-(4-methylphenyl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate
V026-6225 Screening compound: ethyl 4-[3-(1-methyl-1H-indol-3-yl)-3-(4-methylphenyl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-6225
ethyl 4-[3-(1-methyl-1H-indol-3-yl)-3-(4-methylphenyl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate

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

V026-6225

Molecular Formula

C26H31N3O3 (C26 H31 N3 O3)

Compound Name

ethyl 4-[3-(1-methyl-1H-indol-3-yl)-3-(4-methylphenyl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-[3-(1-methyl-1H-indol-3-yl)-3-(4-methylphenyl)propanoyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(CC(c1cn(C)c2c1cccc2)c1ccc(C)cc1)=O)=O

InChI

InChI=1S/C26H31N3O3/c1-4-32-26(31)29-15-13-28(14-16-29)25(30)17-22(20-11-9-19(2)10-12-20)23-18-27(3)24-8-6-5-7-21(23)24/h5-12,18,22H,4,13-17H2,1-3H3/t22-/m1/s1

InChI Key

CHXODKVCLQUBLX-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD10459800

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

433.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.173

Distribution Coefficient, logD

4.173

Water Solubility, LogSw

-3.93

Polar Surface Area

41.427

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

V026-6225 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V026-6225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-6225?
Check Price and Availability of V026-6225, 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 V026-6225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-6225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-6225
  • 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 V026-6225 available by request