4883-0013 Screening compound: 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-2-one

4883-0013 Screening compound: 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-2-one
4883-0013 Screening compound: 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4883-0013
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-2-one

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

4883-0013

Molecular Formula

C21H21NO5 (C21 H21 NO5)

Compound Name

3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-2-one

IUPAC name

3-[2-(34-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(prop-2-en-1-yl)-23-dihydro-1H-indol-2-one

SMILES

COc(ccc(C(CC(c(cccc1)c1N1CC=C)(C1=O)O)=O)c1)c1OC

InChI

InChI=1S/C21H21NO5/c1-4-11-22-16-8-6-5-7-15(16)21(25,20(22)24)13-17(23)14-9-10-18(26-2)19(12-14)27-3/h4-10,12,25H,1,11,13H2,2-3H3/t21-/m0/s1

InChI Key

LUDKVNURLAFVAX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03446320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.212

Distribution Coefficient, logD

2.212

Water Solubility, LogSw

-2.79

Polar Surface Area

59.554

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

4883-0013 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4883-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4883-0013?
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What is the minimum amount of 4883-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4883-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4883-0013
  • 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 4883-0013 available by request