3607-5716 Screening compound: cyclohexyl 2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3607-5716 Screening compound: cyclohexyl 2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3607-5716 Screening compound: cyclohexyl 2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3607-5716
cyclohexyl 2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-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

3607-5716

Molecular Formula

C29H33NO5 (C29 H33 NO5)

Compound Name

cyclohexyl 2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

cyclohexyl 277-trimethyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)(C1)CC(NC(C)=C(C2C3=COc(ccc(C)c4)c4C3=O)C(OC3CCCCC3)=O)=C2C1=O

InChI

InChI=1S/C29H33NO5/c1-16-10-11-23-19(12-16)27(32)20(15-34-23)25-24(28(33)35-18-8-6-5-7-9-18)17(2)30-21-13-29(3,4)14-22(31)26(21)25/h10-12,15,18,25,30H,5-9,13-14H2,1-4H3/t25-/m0/s1

InChI Key

NKSCXPSHPDHKLF-VWLOTQADSA-N

MDL Number (MFCD)

MFCD02104515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.534

Distribution Coefficient, logD

1.058

Water Solubility, LogSw

-5.30

Polar Surface Area

64.898

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-3.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.30

3607-5716 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 3607-5716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3607-5716?
Check Price and Availability of 3607-5716, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3607-5716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3607-5716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3607-5716
  • 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 3607-5716 available by request