V016-6875 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2-chlorophenyl)methyl]-4-ethoxy-1H-indole-2-carboxamide

V016-6875 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2-chlorophenyl)methyl]-4-ethoxy-1H-indole-2-carboxamide
V016-6875 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2-chlorophenyl)methyl]-4-ethoxy-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-6875
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2-chlorophenyl)methyl]-4-ethoxy-1H-indole-2-carboxamide

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

V016-6875

Molecular Formula

C26H23ClN2O4 (C26 H23 ClN2 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2-chlorophenyl)methyl]-4-ethoxy-1H-indole-2-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-1-[(2-chlorophenyl)methyl]-4-ethoxy-1H-indole-2-carboxamide

SMILES

CCOc1cccc2c1cc(C(NCc(cc1)cc3c1OCO3)=O)n2Cc(cccc1)c1Cl

InChI

InChI=1S/C26H23ClN2O4/c1-2-31-23-9-5-8-21-19(23)13-22(29(21)15-18-6-3-4-7-20(18)27)26(30)28-14-17-10-11-24-25(12-17)33-16-32-24/h3-13H,2,14-16H2,1H3,(H,28,30)

InChI Key

SHAZWTSAKOFSOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14247965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.062

Distribution Coefficient, logD

6.062

Water Solubility, LogSw

-6.09

Polar Surface Area

49.431

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.23

V016-6875 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with V016-6875 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-6875?
Check Price and Availability of V016-6875, 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 V016-6875 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-6875
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-6875
  • 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 V016-6875 available by request