C276-0174 Screening compound: cyclopentyl 3-methyl-4-oxo-6-phenyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

C276-0174 Screening compound: cyclopentyl 3-methyl-4-oxo-6-phenyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
C276-0174 Screening compound: cyclopentyl 3-methyl-4-oxo-6-phenyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0174
cyclopentyl 3-methyl-4-oxo-6-phenyl-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

C276-0174

Molecular Formula

C21H23NO3 (C21 H23 NO3)

Compound Name

cyclopentyl 3-methyl-4-oxo-6-phenyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

IUPAC name

cyclopentyl 3-methyl-4-oxo-6-phenyl-4567-tetrahydro-1H-indole-2-carboxylate

SMILES

Cc1c(C(OC2CCCC2)=O)[nH]c(CC(C2)c3ccccc3)c1C2=O

InChI

InChI=1S/C21H23NO3/c1-13-19-17(22-20(13)21(24)25-16-9-5-6-10-16)11-15(12-18(19)23)14-7-3-2-4-8-14/h2-4,7-8,15-16,22H,5-6,9-12H2,1H3/t15-/m1/s1

InChI Key

BYWSFZUESSMLHH-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD05032253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.245

Distribution Coefficient, logD

4.245

Water Solubility, LogSw

-4.36

Polar Surface Area

45.491

Acid Dissociation Constant (pKa)

5.29

Base Dissociation Constant (pKb)

-4.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

C276-0174 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C276-0174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0174?
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What is the minimum amount of C276-0174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0174
  • 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 C276-0174 available by request