3541-0933 Screening compound: ethyl 5-[(2-chlorobenzoyl)oxy]-1-ethyl-2-methyl-1H-indole-3-carboxylate

3541-0933 Screening compound: ethyl 5-[(2-chlorobenzoyl)oxy]-1-ethyl-2-methyl-1H-indole-3-carboxylate
3541-0933 Screening compound: ethyl 5-[(2-chlorobenzoyl)oxy]-1-ethyl-2-methyl-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3541-0933
ethyl 5-[(2-chlorobenzoyl)oxy]-1-ethyl-2-methyl-1H-indole-3-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

3541-0933

Molecular Formula

C21H20ClNO4 (C21 H20 ClNO4)

Compound Name

ethyl 5-[(2-chlorobenzoyl)oxy]-1-ethyl-2-methyl-1H-indole-3-carboxylate

IUPAC name

ethyl 5-(2-chlorobenzoyloxy)-1-ethyl-2-methyl-1H-indole-3-carboxylate

SMILES

CCn1c(ccc(OC(c(cccc2)c2Cl)=O)c2)c2c(C(OCC)=O)c1C

InChI

InChI=1S/C21H20ClNO4/c1-4-23-13(3)19(21(25)26-5-2)16-12-14(10-11-18(16)23)27-20(24)15-8-6-7-9-17(15)22/h6-12H,4-5H2,1-3H3

InChI Key

NTGYRPXURBOEJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01947028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.174

Distribution Coefficient, logD

5.174

Water Solubility, LogSw

-5.59

Polar Surface Area

42.567

Acid Dissociation Constant (pKa)

28.42

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

3541-0933 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3541-0933 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3541-0933?
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What is the minimum amount of 3541-0933 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3541-0933
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3541-0933
  • 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 3541-0933 available by request