C276-0399 Screening compound: heptyl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

C276-0399 Screening compound: heptyl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
C276-0399 Screening compound: heptyl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0399
heptyl 6-(3,4-dimethoxyphenyl)-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

C276-0399

Molecular Formula

C25H33NO5 (C25 H33 NO5)

Compound Name

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

IUPAC name

heptyl 6-(34-dimethoxyphenyl)-3-methyl-4-oxo-4567-tetrahydro-1H-indole-2-carboxylate

SMILES

CCCCCCCOC(c1c(C)c(C(CC(C2)c(cc3)cc(OC)c3OC)=O)c2[nH]1)=O

InChI

InChI=1S/C25H33NO5/c1-5-6-7-8-9-12-31-25(28)24-16(2)23-19(26-24)13-18(14-20(23)27)17-10-11-21(29-3)22(15-17)30-4/h10-11,15,18,26H,5-9,12-14H2,1-4H3/t18-/m1/s1

InChI Key

ILOLDPMFRNCBBN-GOSISDBHSA-N

MDL Number (MFCD)

MFCD06754171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.535

Distribution Coefficient, logD

5.535

Water Solubility, LogSw

-5.40

Polar Surface Area

61.349

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

-4.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

References: we are preparing a list of scientific research reports with C276-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0399?
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What is the minimum amount of C276-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0399
  • 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 C276-0399 available by request