C197-0378 Screening compound: 3-{[(3,4,5-trimethoxyphenyl)carbamoyl]methyl}-1H-indole-2-carboxylic acid

C197-0378 Screening compound: 3-{[(3,4,5-trimethoxyphenyl)carbamoyl]methyl}-1H-indole-2-carboxylic acid
C197-0378 Screening compound: 3-{[(3,4,5-trimethoxyphenyl)carbamoyl]methyl}-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C197-0378
3-{[(3,4,5-trimethoxyphenyl)carbamoyl]methyl}-1H-indole-2-carboxylic acid

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

C197-0378

Molecular Formula

C20H20N2O6 (C20 H20 N2 O6)

Compound Name

3-{[(3,4,5-trimethoxyphenyl)carbamoyl]methyl}-1H-indole-2-carboxylic acid

IUPAC name

3-{[(345-trimethoxyphenyl)carbamoyl]methyl}-1H-indole-2-carboxylic acid

SMILES

COc1cc(NC(Cc2c(C(O)=O)[nH]c3c2cccc3)=O)cc(OC)c1OC

InChI

InChI=1S/C20H20N2O6/c1-26-15-8-11(9-16(27-2)19(15)28-3)21-17(23)10-13-12-6-4-5-7-14(12)22-18(13)20(24)25/h4-9,22H,10H2,1-3H3,(H,21,23)(H,24,25)

InChI Key

ZKKZVJGZGNIDEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.620

Distribution Coefficient, logD

-0.935

Water Solubility, LogSw

-2.33

Polar Surface Area

84.622

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C197-0378 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C197-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C197-0378?
Check Price and Availability of C197-0378, 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 C197-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C197-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C197-0378
  • 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 C197-0378 available by request