C276-0651 Screening compound: butyl 6-(4-ethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

C276-0651 Screening compound: butyl 6-(4-ethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
C276-0651 Screening compound: butyl 6-(4-ethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0651
butyl 6-(4-ethoxyphenyl)-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

C276-0651

Molecular Formula

C22H27NO4 (C22 H27 NO4)

Compound Name

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

IUPAC name

butyl 6-(4-ethoxyphenyl)-3-methyl-4-oxo-4567-tetrahydro-1H-indole-2-carboxylate

SMILES

CCCCOC(c1c(C)c(C(CC(C2)c(cc3)ccc3OCC)=O)c2[nH]1)=O

InChI

InChI=1S/C22H27NO4/c1-4-6-11-27-22(25)21-14(3)20-18(23-21)12-16(13-19(20)24)15-7-9-17(10-8-15)26-5-2/h7-10,16,23H,4-6,11-13H2,1-3H3/t16-/m1/s1

InChI Key

SSVXMKOXTGWADU-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD06754375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.866

Distribution Coefficient, logD

4.866

Water Solubility, LogSw

-4.73

Polar Surface Area

53.212

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

-4.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with C276-0651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0651?
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What is the minimum amount of C276-0651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0651
  • 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 C276-0651 available by request