8016-1199 Screening compound: cyclohexylmethyl 6-[4-(dimethylamino)phenyl]-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

8016-1199 Screening compound: cyclohexylmethyl 6-[4-(dimethylamino)phenyl]-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
8016-1199 Screening compound: cyclohexylmethyl 6-[4-(dimethylamino)phenyl]-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-1199
cyclohexylmethyl 6-[4-(dimethylamino)phenyl]-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

8016-1199

Molecular Formula

C25H32N2O3 (C25 H32 N2 O3)

Compound Name

cyclohexylmethyl 6-[4-(dimethylamino)phenyl]-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

IUPAC name

cyclohexylmethyl 6-[4-(dimethylamino)phenyl]-3-methyl-4-oxo-4567-tetrahydro-1H-indole-2-carboxylate

SMILES

Cc1c(C(OCC2CCCCC2)=O)[nH]c(CC(C2)c(cc3)ccc3N(C)C)c1C2=O

InChI

InChI=1S/C25H32N2O3/c1-16-23-21(26-24(16)25(29)30-15-17-7-5-4-6-8-17)13-19(14-22(23)28)18-9-11-20(12-10-18)27(2)3/h9-12,17,19,26H,4-8,13-15H2,1-3H3/t19-/m1/s1

InChI Key

QKFDPHLZIONZRU-LJQANCHMSA-N

MDL Number (MFCD)

MFCD05260325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.279

Distribution Coefficient, logD

5.278

Water Solubility, LogSw

-5.49

Polar Surface Area

48.895

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

8.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

8016-1199 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 8016-1199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-1199?
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What is the minimum amount of 8016-1199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-1199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-1199
  • 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 8016-1199 available by request