C276-0405 Screening compound: (4-methylphenyl)methyl 6-(4-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

C276-0405 Screening compound: (4-methylphenyl)methyl 6-(4-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
C276-0405 Screening compound: (4-methylphenyl)methyl 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 C276-0405
(4-methylphenyl)methyl 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

C276-0405

Molecular Formula

C24H22ClNO3 (C24 H22 ClNO3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(OCc2ccc(C)cc2)=O)[nH]c(CC(C2)c(cc3)ccc3Cl)c1C2=O

InChI

InChI=1S/C24H22ClNO3/c1-14-3-5-16(6-4-14)13-29-24(28)23-15(2)22-20(26-23)11-18(12-21(22)27)17-7-9-19(25)10-8-17/h3-10,18,26H,11-13H2,1-2H3/t18-/m0/s1

InChI Key

XKQPJJZHLFLALI-SFHVURJKSA-N

MDL Number (MFCD)

MFCD06754175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.604

Distribution Coefficient, logD

5.604

Water Solubility, LogSw

-6.43

Polar Surface Area

45.898

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

C276-0405 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C276-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0405?
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What is the minimum amount of C276-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0405
  • 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 C276-0405 available by request