C276-0472 Screening compound: 5-methyl 2-[2-(propan-2-yloxy)ethyl] 3,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2,5-dicarboxylate

C276-0472 Screening compound: 5-methyl 2-[2-(propan-2-yloxy)ethyl] 3,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2,5-dicarboxylate
C276-0472 Screening compound: 5-methyl 2-[2-(propan-2-yloxy)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 C276-0472
5-methyl 2-[2-(propan-2-yloxy)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

C276-0472

Molecular Formula

C18H25NO6 (C18 H25 NO6)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H25NO6/c1-9(2)24-6-7-25-18(22)15-11(4)14-12(19-15)8-10(3)13(16(14)20)17(21)23-5/h9-10,13,19H,6-8H2,1-5H3

InChI Key

HNLIFRRBNSDTJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06754233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.659

Distribution Coefficient, logD

1.655

Water Solubility, LogSw

-1.78

Polar Surface Area

74.634

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

-4.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.10

C276-0472 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C276-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0472?
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What is the minimum amount of C276-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0472
  • 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 C276-0472 available by request