4513-1282 Screening compound: 3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carboxylate

4513-1282 Screening compound: 3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carboxylate
4513-1282 Screening compound: 3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4513-1282
3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carboxylate

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

4513-1282

Molecular Formula

C14H15N2O4 (C14 H15 N2 O4)

Compound Name

3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carboxylate

IUPAC name

3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carboxylate

SMILES

CC(NCCc1c(C([O-])=O)[nH]c(cc2)c1cc2OC)=O

InChI

InChI=1S/C14H16N2O4/c1-8(17)15-6-5-10-11-7-9(20-2)3-4-12(11)16-13(10)14(18)19/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)(H,18,19)/p-1

InChI Key

JISUWGUTYVGVCN-UHFFFAOYSA-M

MDL Number (MFCD)

MFCD02069778

Chemical and Physical Properties

Saltdata

Na+

Molecular Weight

275.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.315

Distribution Coefficient, logD

0.315

Water Solubility, LogSw

-1.72

Polar Surface Area

70.735

Acid Dissociation Constant (pKa)

14.77

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

4513-1282 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4513-1282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4513-1282?
Check Price and Availability of 4513-1282, 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 4513-1282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4513-1282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4513-1282
  • 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 4513-1282 available by request