V014-9268 Screening compound: 3-(3,5-dimethoxyphenyl)-3-(1-ethyl-1H-indol-3-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-1-propanone

V014-9268 Screening compound: 3-(3,5-dimethoxyphenyl)-3-(1-ethyl-1H-indol-3-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-1-propanone
V014-9268 Screening compound: 3-(3,5-dimethoxyphenyl)-3-(1-ethyl-1H-indol-3-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-9268
3-(3,5-dimethoxyphenyl)-3-(1-ethyl-1H-indol-3-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-1-propanone

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

V014-9268

Molecular Formula

C31H40N2O3 (C31 H40 N2 O3)

Compound Name

3-(3,5-dimethoxyphenyl)-3-(1-ethyl-1H-indol-3-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-1-propanone

IUPAC name

3-(35-dimethoxyphenyl)-3-(1-ethyl-1H-indol-3-yl)-1-{133-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}propan-1-one

SMILES

CCn1c(cccc2)c2c(C(CC(N2C(C3)CC(C)(C)CC3(C)C2)=O)c2cc(OC)cc(OC)c2)c1

InChI

InChI=1S/C31H40N2O3/c1-7-32-18-27(25-10-8-9-11-28(25)32)26(21-12-23(35-5)14-24(13-21)36-6)15-29(34)33-20-31(4)17-22(33)16-30(2,3)19-31/h8-14,18,22,26H,7,15-17,19-20H2,1-6H3

InChI Key

OHPQUKIIAVXTFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19848657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.67

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.715

Distribution Coefficient, logD

5.715

Water Solubility, LogSw

-5.62

Polar Surface Area

32.589

Acid Dissociation Constant (pKa)

22.88

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

51.61

V014-9268 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V014-9268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-9268?
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What is the minimum amount of V014-9268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-9268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-9268
  • 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 V014-9268 available by request