Y207-5502 Screening compound: 5-methyl 2-[2-(methylsulfanyl)ethyl] 3,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2,5-dicarboxylate

Y207-5502 Screening compound: 5-methyl 2-[2-(methylsulfanyl)ethyl] 3,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2,5-dicarboxylate
Y207-5502 Screening compound: 5-methyl 2-[2-(methylsulfanyl)ethyl] 3,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y207-5502
5-methyl 2-[2-(methylsulfanyl)ethyl] 3,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2,5-dicarboxylate

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

Y207-5502

Molecular Formula

C16H21NO5S (C16 H21 NO5 S)

Compound Name

5-methyl 2-[2-(methylsulfanyl)ethyl] 3,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2,5-dicarboxylate

IUPAC name

5-methyl 2-[2-(methylsulfanyl)ethyl] 36-dimethyl-4-oxo-4567-tetrahydro-1H-indole-25-dicarboxylate

SMILES

CC(Cc1c2c(C)c(C(OCCSC)=O)[nH]1)C(C(OC)=O)C2=O

InChI

InChI=1S/C16H21NO5S/c1-8-7-10-12(14(18)11(8)15(19)21-3)9(2)13(17-10)16(20)22-5-6-23-4/h8,11,17H,5-7H2,1-4H3

InChI Key

BVJMCVUCSGLWDW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.804

Distribution Coefficient, logD

1.800

Water Solubility, LogSw

-2.21

Polar Surface Area

67.433

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

-4.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.25

Y207-5502 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y207-5502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y207-5502?
Check Price and Availability of Y207-5502, 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 Y207-5502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y207-5502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y207-5502
  • 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 Y207-5502 available by request