V018-9102 Screening compound: ethyl 4-[3-(1-ethyl-1H-indol-3-yl)-3-(4-methylphenyl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate

V018-9102 Screening compound: ethyl 4-[3-(1-ethyl-1H-indol-3-yl)-3-(4-methylphenyl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate
V018-9102 Screening compound: ethyl 4-[3-(1-ethyl-1H-indol-3-yl)-3-(4-methylphenyl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-9102
ethyl 4-[3-(1-ethyl-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

V018-9102

Molecular Formula

C27H33N3O3 (C27 H33 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(cccc2)c2c(C(CC(N(CC2)CCN2C(OCC)=O)=O)c2ccc(C)cc2)c1

InChI

InChI=1S/C27H33N3O3/c1-4-28-19-24(22-8-6-7-9-25(22)28)23(21-12-10-20(3)11-13-21)18-26(31)29-14-16-30(17-15-29)27(32)33-5-2/h6-13,19,23H,4-5,14-18H2,1-3H3/t23-/m1/s1

InChI Key

OUZLSQOUBABQGQ-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD10459768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.448

Distribution Coefficient, logD

4.448

Water Solubility, LogSw

-4.09

Polar Surface Area

40.596

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.74

V018-9102 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 V018-9102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-9102?
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What is the minimum amount of V018-9102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-9102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-9102
  • 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 V018-9102 available by request