C276-0613 Screening compound: 6-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxamide

C276-0613 Screening compound: 6-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
C276-0613 Screening compound: 6-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0613
6-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxamide

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

C276-0613

Molecular Formula

C28H32N2O2 (C28 H32 N2 O2)

Compound Name

6-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxamide

IUPAC name

6-(4-tert-butylphenyl)-N-(34-dimethylphenyl)-3-methyl-4-oxo-4567-tetrahydro-1H-indole-2-carboxamide

SMILES

CC(C)(C)c1ccc(C(Cc2c3c(C)c(C(Nc4cc(C)c(C)cc4)=O)[nH]2)CC3=O)cc1

InChI

InChI=1S/C28H32N2O2/c1-16-7-12-22(13-17(16)2)29-27(32)26-18(3)25-23(30-26)14-20(15-24(25)31)19-8-10-21(11-9-19)28(4,5)6/h7-13,20,30H,14-15H2,1-6H3,(H,29,32)/t20-/m1/s1

InChI Key

HLERQKOYOVDVKU-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD06754339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.155

Distribution Coefficient, logD

7.155

Water Solubility, LogSw

-5.69

Polar Surface Area

48.132

Acid Dissociation Constant (pKa)

11.92

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

C276-0613 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C276-0613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0613?
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What is the minimum amount of C276-0613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0613
  • 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 C276-0613 available by request