C276-0587 Screening compound: 2-(methylsulfanyl)ethyl 6-(4-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

C276-0587 Screening compound: 2-(methylsulfanyl)ethyl 6-(4-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
C276-0587 Screening compound: 2-(methylsulfanyl)ethyl 6-(4-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0587
2-(methylsulfanyl)ethyl 6-(4-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-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

C276-0587

Molecular Formula

C19H20ClNO3S (C19 H20 ClNO3 S)

Compound Name

2-(methylsulfanyl)ethyl 6-(4-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

IUPAC name

2-(methylsulfanyl)ethyl 6-(4-chlorophenyl)-3-methyl-4-oxo-4567-tetrahydro-1H-indole-2-carboxylate

SMILES

Cc1c(C(OCCSC)=O)[nH]c(CC(C2)c(cc3)ccc3Cl)c1C2=O

InChI

InChI=1S/C19H20ClNO3S/c1-11-17-15(21-18(11)19(23)24-7-8-25-2)9-13(10-16(17)22)12-3-5-14(20)6-4-12/h3-6,13,21H,7-10H2,1-2H3/t13-/m0/s1

InChI Key

NYVJEXKVMGJUPD-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD06754314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.171

Distribution Coefficient, logD

4.171

Water Solubility, LogSw

-5.04

Polar Surface Area

46.089

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

-4.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

C276-0587 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C276-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0587?
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What is the minimum amount of C276-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0587
  • 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 C276-0587 available by request