V001-0056 Screening compound: ethyl 4-[3-(7-ethyl-1H-indol-3-yl)-3-(2-methoxyphenyl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate

V001-0056 Screening compound: ethyl 4-[3-(7-ethyl-1H-indol-3-yl)-3-(2-methoxyphenyl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate
V001-0056 Screening compound: ethyl 4-[3-(7-ethyl-1H-indol-3-yl)-3-(2-methoxyphenyl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-0056
ethyl 4-[3-(7-ethyl-1H-indol-3-yl)-3-(2-methoxyphenyl)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

V001-0056

Molecular Formula

C27H33N3O4 (C27 H33 N3 O4)

Compound Name

ethyl 4-[3-(7-ethyl-1H-indol-3-yl)-3-(2-methoxyphenyl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-[3-(7-ethyl-1H-indol-3-yl)-3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate

SMILES

CCc1cccc2c1[nH]cc2C(CC(N(CC1)CCN1C(OCC)=O)=O)c(cccc1)c1OC

InChI

InChI=1S/C27H33N3O4/c1-4-19-9-8-11-21-23(18-28-26(19)21)22(20-10-6-7-12-24(20)33-3)17-25(31)29-13-15-30(16-14-29)27(32)34-5-2/h6-12,18,22,28H,4-5,13-17H2,1-3H3/t22-/m1/s1

InChI Key

FKWOOQONNVWPCZ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19853555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.874

Distribution Coefficient, logD

4.874

Water Solubility, LogSw

-4.70

Polar Surface Area

57.140

Acid Dissociation Constant (pKa)

18.17

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.74

V001-0056 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V001-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-0056?
Check Price and Availability of V001-0056, 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 V001-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-0056
  • 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 V001-0056 available by request