4099-6573 Screening compound: methyl 4-(2-fluorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

4099-6573 Screening compound: methyl 4-(2-fluorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
4099-6573 Screening compound: methyl 4-(2-fluorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4099-6573
methyl 4-(2-fluorophenyl)-7-(4-methoxyphenyl)-2-methyl-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

4099-6573

Molecular Formula

C25H24FNO4 (C25 H24 FNO4)

Compound Name

methyl 4-(2-fluorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

methyl 4-(2-fluorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CC(C1)c(cc2)ccc2OC)=C(C2c(cccc3)c3F)C1=O)=C2C(OC)=O

InChI

InChI=1S/C25H24FNO4/c1-14-22(25(29)31-3)23(18-6-4-5-7-19(18)26)24-20(27-14)12-16(13-21(24)28)15-8-10-17(30-2)11-9-15/h4-11,16,23,27H,12-13H2,1-3H3

InChI Key

XCMJYVYIWWZJRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02632955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.868

Distribution Coefficient, logD

0.551

Water Solubility, LogSw

-4.60

Polar Surface Area

52.367

Acid Dissociation Constant (pKa)

3.08

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.00

4099-6573 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4099-6573 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4099-6573?
Check Price and Availability of 4099-6573, 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 4099-6573 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4099-6573
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4099-6573
  • 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 4099-6573 available by request