C800-0500 Screening compound: N-[(3-methoxyphenyl)methyl]-1,2,3-trimethyl-1H-indole-5-carboxamide

C800-0500 Screening compound: N-[(3-methoxyphenyl)methyl]-1,2,3-trimethyl-1H-indole-5-carboxamide
C800-0500 Screening compound: N-[(3-methoxyphenyl)methyl]-1,2,3-trimethyl-1H-indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0500
N-[(3-methoxyphenyl)methyl]-1,2,3-trimethyl-1H-indole-5-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

C800-0500

Molecular Formula

C20H22N2O2 (C20 H22 N2 O2)

Compound Name

N-[(3-methoxyphenyl)methyl]-1,2,3-trimethyl-1H-indole-5-carboxamide

IUPAC name

N-[(3-methoxyphenyl)methyl]-123-trimethyl-1H-indole-5-carboxamide

SMILES

Cc1c(C)n(C)c(cc2)c1cc2C(NCc1cc(OC)ccc1)=O

InChI

InChI=1S/C20H22N2O2/c1-13-14(2)22(3)19-9-8-16(11-18(13)19)20(23)21-12-15-6-5-7-17(10-15)24-4/h5-11H,12H2,1-4H3,(H,21,23)

InChI Key

HXYYXJZISBAVBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.472

Distribution Coefficient, logD

3.472

Water Solubility, LogSw

-3.81

Polar Surface Area

34.478

Acid Dissociation Constant (pKa)

13.18

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C800-0500 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C800-0500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0500?
Check Price and Availability of C800-0500, 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 C800-0500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0500
  • 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 C800-0500 available by request