4099-6627 Screening compound: cyclopentyl 2-methyl-5-oxo-4,7-diphenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

4099-6627 Screening compound: cyclopentyl 2-methyl-5-oxo-4,7-diphenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
4099-6627 Screening compound: cyclopentyl 2-methyl-5-oxo-4,7-diphenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4099-6627
cyclopentyl 2-methyl-5-oxo-4,7-diphenyl-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

4099-6627

Molecular Formula

C28H29NO3 (C28 H29 NO3)

Compound Name

cyclopentyl 2-methyl-5-oxo-4,7-diphenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

cyclopentyl 2-methyl-5-oxo-47-diphenyl-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CC(C1)c2ccccc2)=C(C2c3ccccc3)C1=O)=C2C(OC1CCCC1)=O

InChI

InChI=1S/C28H29NO3/c1-18-25(28(31)32-22-14-8-9-15-22)26(20-12-6-3-7-13-20)27-23(29-18)16-21(17-24(27)30)19-10-4-2-5-11-19/h2-7,10-13,21-22,26,29H,8-9,14-17H2,1H3

InChI Key

JEBIZTUAMZAJHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00771491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.799

Distribution Coefficient, logD

1.319

Water Solubility, LogSw

-5.57

Polar Surface Area

44.100

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.70

4099-6627 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 4099-6627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4099-6627?
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What is the minimum amount of 4099-6627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4099-6627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4099-6627
  • 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 4099-6627 available by request