3817-0042 Screening compound: ethyl 2-{3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate

3817-0042 Screening compound: ethyl 2-{3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate
3817-0042 Screening compound: ethyl 2-{3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3817-0042
ethyl 2-{3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate

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

3817-0042

Molecular Formula

C20H19NO6 (C20 H19 NO6)

Compound Name

ethyl 2-{3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate

IUPAC name

ethyl 2-{3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-2-oxo-23-dihydro-1H-indol-1-yl}acetate

SMILES

CCOC(CN(C(C1(CC(c(cccc2)c2O)=O)O)=O)c2c1cccc2)=O

InChI

InChI=1S/C20H19NO6/c1-2-27-18(24)12-21-15-9-5-4-8-14(15)20(26,19(21)25)11-17(23)13-7-3-6-10-16(13)22/h3-10,22,26H,2,11-12H2,1H3/t20-/m0/s1

InChI Key

RSQZUXBKNODIGH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD02314922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.388

Distribution Coefficient, logD

2.349

Water Solubility, LogSw

-2.67

Polar Surface Area

81.021

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

-4.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

3817-0042 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 3817-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3817-0042?
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What is the minimum amount of 3817-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3817-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3817-0042
  • 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 3817-0042 available by request