6938-0348 Screening compound: ethyl 4-{[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]amino}benzoate

6938-0348 Screening compound: ethyl 4-{[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]amino}benzoate
6938-0348 Screening compound: ethyl 4-{[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6938-0348
ethyl 4-{[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]amino}benzoate

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

6938-0348

Molecular Formula

C18H16N2O4 (C18 H16 N2 O4)

Compound Name

ethyl 4-{[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]amino}benzoate

IUPAC name

ethyl 4-{[(23-dioxo-23-dihydro-1H-indol-1-yl)methyl]amino}benzoate

SMILES

CCOC(c(cc1)ccc1NCN(c(cccc1)c1C1=O)C1=O)=O

InChI

InChI=1S/C18H16N2O4/c1-2-24-18(23)12-7-9-13(10-8-12)19-11-20-15-6-4-3-5-14(15)16(21)17(20)22/h3-10,19H,2,11H2,1H3

InChI Key

XEQNWTDYTXEFRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00594826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.105

Distribution Coefficient, logD

3.105

Water Solubility, LogSw

-3.56

Polar Surface Area

60.767

Acid Dissociation Constant (pKa)

16.76

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

6938-0348 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 6938-0348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6938-0348?
Check Price and Availability of 6938-0348, 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 6938-0348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6938-0348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6938-0348
  • 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 6938-0348 available by request