3004-4876 Screening compound: cycloheptyl 2,7,7-trimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3004-4876 Screening compound: cycloheptyl 2,7,7-trimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3004-4876 Screening compound: cycloheptyl 2,7,7-trimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3004-4876
cycloheptyl 2,7,7-trimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-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

3004-4876

Molecular Formula

C29H39NO6 (C29 H39 NO6)

Compound Name

cycloheptyl 2,7,7-trimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

cycloheptyl 277-trimethyl-5-oxo-4-(234-trimethoxyphenyl)-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)(C1)CC(NC(C)=C(C2c(ccc(OC)c3OC)c3OC)C(OC3CCCCCC3)=O)=C2C1=O

InChI

InChI=1S/C29H39NO6/c1-17-23(28(32)36-18-11-9-7-8-10-12-18)24(25-20(30-17)15-29(2,3)16-21(25)31)19-13-14-22(33-4)27(35-6)26(19)34-5/h13-14,18,24,30H,7-12,15-16H2,1-6H3/t24-/m0/s1

InChI Key

CUYMSKZDAIEZDM-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD01824508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.955

Distribution Coefficient, logD

1.668

Water Solubility, LogSw

-5.49

Polar Surface Area

67.401

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.60

References: we are preparing a list of scientific research reports with 3004-4876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3004-4876?
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What is the minimum amount of 3004-4876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3004-4876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3004-4876
  • 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 3004-4876 available by request