C197-0474 Screening compound: 3-{[(2-ethoxyphenyl)(methyl)carbamoyl]methyl}-1H-indole-2-carboxylic acid

C197-0474 Screening compound: 3-{[(2-ethoxyphenyl)(methyl)carbamoyl]methyl}-1H-indole-2-carboxylic acid
C197-0474 Screening compound: 3-{[(2-ethoxyphenyl)(methyl)carbamoyl]methyl}-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C197-0474
3-{[(2-ethoxyphenyl)(methyl)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

C197-0474

Molecular Formula

C20H20N2O4 (C20 H20 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cccc1)c1N(C)C(Cc1c(C(O)=O)[nH]c2c1cccc2)=O

InChI

InChI=1S/C20H20N2O4/c1-3-26-17-11-7-6-10-16(17)22(2)18(23)12-14-13-8-4-5-9-15(13)21-19(14)20(24)25/h4-11,21H,3,12H2,1-2H3,(H,24,25)

InChI Key

JUURBAGUYUSWQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.508

Distribution Coefficient, logD

-0.046

Water Solubility, LogSw

-2.60

Polar Surface Area

60.517

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C197-0474 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C197-0474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C197-0474?
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What is the minimum amount of C197-0474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C197-0474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C197-0474
  • 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 C197-0474 available by request