C276-0428 Screening compound: butan-2-yl 6-(4-ethylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

C276-0428 Screening compound: butan-2-yl 6-(4-ethylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
C276-0428 Screening compound: butan-2-yl 6-(4-ethylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0428
butan-2-yl 6-(4-ethylphenyl)-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

C276-0428

Molecular Formula

C22H27NO3 (C22 H27 NO3)

Compound Name

butan-2-yl 6-(4-ethylphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

IUPAC name

butan-2-yl 6-(4-ethylphenyl)-3-methyl-4-oxo-4567-tetrahydro-1H-indole-2-carboxylate

SMILES

CCC(C)OC(c1c(C)c(C(CC(C2)c3ccc(CC)cc3)=O)c2[nH]1)=O

InChI

InChI=1S/C22H27NO3/c1-5-13(3)26-22(25)21-14(4)20-18(23-21)11-17(12-19(20)24)16-9-7-15(6-2)8-10-16/h7-10,13,17,23H,5-6,11-12H2,1-4H3

InChI Key

JRBGPVDIILVQAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06754195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.610

Distribution Coefficient, logD

5.610

Water Solubility, LogSw

-5.58

Polar Surface Area

45.357

Acid Dissociation Constant (pKa)

5.29

Base Dissociation Constant (pKb)

-4.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.50

C276-0428 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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 C276-0428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0428?
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What is the minimum amount of C276-0428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0428
  • 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 C276-0428 available by request