C276-0896 Screening compound: butan-2-yl 6-[4-(dimethylamino)phenyl]-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

C276-0896 Screening compound: butan-2-yl 6-[4-(dimethylamino)phenyl]-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
C276-0896 Screening compound: butan-2-yl 6-[4-(dimethylamino)phenyl]-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0896
butan-2-yl 6-[4-(dimethylamino)phenyl]-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

C276-0896

Molecular Formula

C22H28N2O3 (C22 H28 N2 O3)

Compound Name

butan-2-yl 6-[4-(dimethylamino)phenyl]-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

IUPAC name

butan-2-yl 6-[4-(dimethylamino)phenyl]-3-methyl-4-oxo-4567-tetrahydro-1H-indole-2-carboxylate

SMILES

CCC(C)OC(c1c(C)c(C(CC(C2)c(cc3)ccc3N(C)C)=O)c2[nH]1)=O

InChI

InChI=1S/C22H28N2O3/c1-6-13(2)27-22(26)21-14(3)20-18(23-21)11-16(12-19(20)25)15-7-9-17(10-8-15)24(4)5/h7-10,13,16,23H,6,11-12H2,1-5H3

InChI Key

QKVLYKHAWFEXEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06754657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.769

Distribution Coefficient, logD

4.768

Water Solubility, LogSw

-4.61

Polar Surface Area

48.161

Acid Dissociation Constant (pKa)

5.29

Base Dissociation Constant (pKb)

8.79

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.50

C276-0896 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C276-0896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0896?
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What is the minimum amount of C276-0896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0896
  • 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 C276-0896 available by request