V010-3896 Screening compound: ethyl 1-[3-(2,4-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylate

V010-3896 Screening compound: ethyl 1-[3-(2,4-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylate
V010-3896 Screening compound: ethyl 1-[3-(2,4-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-3896
ethyl 1-[3-(2,4-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylate

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

V010-3896

Molecular Formula

C27H30F2N2O3 (C27 H30 F2 N2 O3)

Compound Name

ethyl 1-[3-(2,4-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[3-(24-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylate

SMILES

CCc1cccc2c1[nH]cc2C(CC(N(CCC1)CC1C(OCC)=O)=O)c(ccc(F)c1)c1F

InChI

InChI=1S/C27H30F2N2O3/c1-3-17-7-5-9-21-23(15-30-26(17)21)22(20-11-10-19(28)13-24(20)29)14-25(32)31-12-6-8-18(16-31)27(33)34-4-2/h5,7,9-11,13,15,18,22,30H,3-4,6,8,12,14,16H2,1-2H3

InChI Key

KWWFTIAKEAHVEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19855090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.468

Distribution Coefficient, logD

5.468

Water Solubility, LogSw

-5.69

Polar Surface Area

47.416

Acid Dissociation Constant (pKa)

18.17

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.70

V010-3896 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 V010-3896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-3896?
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What is the minimum amount of V010-3896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-3896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-3896
  • 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 V010-3896 available by request