V016-6625 Screening compound: 8-{1-[(3-chlorophenyl)methyl]-4-(prop-2-en-1-yloxy)-1H-indole-2-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

V016-6625 Screening compound: 8-{1-[(3-chlorophenyl)methyl]-4-(prop-2-en-1-yloxy)-1H-indole-2-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
V016-6625 Screening compound: 8-{1-[(3-chlorophenyl)methyl]-4-(prop-2-en-1-yloxy)-1H-indole-2-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-6625
8-{1-[(3-chlorophenyl)methyl]-4-(prop-2-en-1-yloxy)-1H-indole-2-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

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

V016-6625

Molecular Formula

C26H27ClN2O4 (C26 H27 ClN2 O4)

Compound Name

8-{1-[(3-chlorophenyl)methyl]-4-(prop-2-en-1-yloxy)-1H-indole-2-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-{1-[(3-chlorophenyl)methyl]-4-(prop-2-en-1-yloxy)-1H-indole-2-carbonyl}-14-dioxa-8-azaspiro[4.5]decane

SMILES

C=CCOc1cccc2c1cc(C(N(CC1)CCC11OCCO1)=O)n2Cc1cccc(Cl)c1

InChI

InChI=1S/C26H27ClN2O4/c1-2-13-31-24-8-4-7-22-21(24)17-23(29(22)18-19-5-3-6-20(27)16-19)25(30)28-11-9-26(10-12-28)32-14-15-33-26/h2-8,16-17H,1,9-15,18H2

InChI Key

FAWPNPICARPVRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19853652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.200

Distribution Coefficient, logD

5.200

Water Solubility, LogSw

-5.60

Polar Surface Area

39.282

Acid Dissociation Constant (pKa)

25.34

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

V016-6625 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V016-6625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-6625?
Check Price and Availability of V016-6625, 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 V016-6625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-6625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-6625
  • 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 V016-6625 available by request