V009-2733 Screening compound: ethyl 4-[3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate

V009-2733 Screening compound: ethyl 4-[3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate
V009-2733 Screening compound: ethyl 4-[3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-2733
ethyl 4-[3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)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

V009-2733

Molecular Formula

C26H30FN3O3 (C26 H30 FN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc1cccc2c1[nH]cc2C(CC(N(CC1)CCN1C(OCC)=O)=O)c1cccc(F)c1

InChI

InChI=1S/C26H30FN3O3/c1-3-18-7-6-10-21-23(17-28-25(18)21)22(19-8-5-9-20(27)15-19)16-24(31)29-11-13-30(14-12-29)26(32)33-4-2/h5-10,15,17,22,28H,3-4,11-14,16H2,1-2H3/t22-/m1/s1

InChI Key

MNIXKBANTXUDME-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD10459795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.54

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

4.824

Distribution Coefficient, logD

4.824

Water Solubility, LogSw

-4.80

Polar Surface Area

49.509

Acid Dissociation Constant (pKa)

18.17

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

V009-2733 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V009-2733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-2733?
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What is the minimum amount of V009-2733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-2733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-2733
  • 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 V009-2733 available by request