C276-0836 Screening compound: 2-(propan-2-yloxy)ethyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

C276-0836 Screening compound: 2-(propan-2-yloxy)ethyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
C276-0836 Screening compound: 2-(propan-2-yloxy)ethyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0836
2-(propan-2-yloxy)ethyl 3,6,6-trimethyl-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

C276-0836

Molecular Formula

C17H25NO4 (C17 H25 NO4)

Compound Name

2-(propan-2-yloxy)ethyl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

IUPAC name

2-(propan-2-yloxy)ethyl 366-trimethyl-4-oxo-4567-tetrahydro-1H-indole-2-carboxylate

SMILES

CC(C)OCCOC(c1c(C)c(C(CC(C)(C)C2)=O)c2[nH]1)=O

InChI

InChI=1S/C17H25NO4/c1-10(2)21-6-7-22-16(20)15-11(3)14-12(18-15)8-17(4,5)9-13(14)19/h10,18H,6-9H2,1-5H3

InChI Key

RFLQEZYPIYOZPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06752721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.166

Distribution Coefficient, logD

2.166

Water Solubility, LogSw

-2.19

Polar Surface Area

53.561

Acid Dissociation Constant (pKa)

5.46

Base Dissociation Constant (pKb)

-4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.70

C276-0836 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS targets activity set (6557 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C276-0836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0836?
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What is the minimum amount of C276-0836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0836
  • 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 C276-0836 available by request