V002-9829 Screening compound: 4-ethoxy-N~2~,1-diisobutyl-1H-indole-2-carboxamide

V002-9829 Screening compound: 4-ethoxy-N~2~,1-diisobutyl-1H-indole-2-carboxamide
V002-9829 Screening compound: 4-ethoxy-N~2~,1-diisobutyl-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-9829
4-ethoxy-N~2~,1-diisobutyl-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

V002-9829

Molecular Formula

C19H28N2O2 (C19 H28 N2 O2)

Compound Name

4-ethoxy-N~2~,1-diisobutyl-1H-indole-2-carboxamide

IUPAC name

4-ethoxy-N1-bis(2-methylpropyl)-1H-indole-2-carboxamide

SMILES

CCOc1cccc2c1cc(C(NCC(C)C)=O)n2CC(C)C

InChI

InChI=1S/C19H28N2O2/c1-6-23-18-9-7-8-16-15(18)10-17(21(16)12-14(4)5)19(22)20-11-13(2)3/h7-10,13-14H,6,11-12H2,1-5H3,(H,20,22)

InChI Key

JDWZTAYBUYIMHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19858572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.842

Distribution Coefficient, logD

4.842

Water Solubility, LogSw

-4.55

Polar Surface Area

32.859

Acid Dissociation Constant (pKa)

15.34

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.63

V002-9829 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V002-9829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-9829?
Check Price and Availability of V002-9829, 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 V002-9829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-9829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-9829
  • 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 V002-9829 available by request